(2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide

C32H32N2O3 — CID 98231180

IUPAC(2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide
SMILESCC(C)C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O
InChIInChI=1S/C32H32N2O3/c1-18(2)17-25(30(35)33-19(3)20-11-5-4-6-12-20)34-31(36)28-26-21-13-7-8-14-22(21)27(29(28)32(34)37)24-16-10-9-15-23(24)26/h4-16,18-19,25-29H,17H2,1-3H3,(H,33,35)/t19-,25+,26?,27?,28+,29+/m1/s1
InChIKeyUDWRLQOCTHAZNN-HGGXKGRGSA-N
MW492.62 g/mol
LogP5.17
Rot. Bonds6

About (2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide

(2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide (PubChem CID 98231180) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is (2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide
PubChem CID98231180
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC Name(2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide
SMILESCC(C)C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O
InChIInChI=1S/C32H32N2O3/c1-18(2)17-25(30(35)33-19(3)20-11-5-4-6-12-20)34-31(36)28-26-21-13-7-8-14-22(21)27(29(28)32(34)37)24-16-10-9-15-23(24)26/h4-16,18-19,25-29H,17H2,1-3H3,(H,33,35)/t19-,25+,26?,27?,28+,29+/m1/s1
InChIKeyUDWRLQOCTHAZNN-HGGXKGRGSA-N
XLogP5.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(15S,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-phenylpentanamide
CID 27819566
2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(4-iodophenyl)-4-methylpentanamide
CID 3826712
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 112761326
(2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]pentanamide
CID 51950156
[2-(4-chlorophenyl)-2-oxoethyl] (2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methylpentanoate
CID 6576063
N-[1-(3,4-dichlorophenyl)ethyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methylpentanamide
CID 42906498
(2R)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-3-phenylpropanoic acid
CID 40734881
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 3148598
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide?
The IUPAC name of (2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide (CID 98231180) is (2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide.
What is the SMILES notation for (2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide?
The canonical SMILES for (2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide is CC(C)C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O.
What is the InChIKey of (2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide?
The InChIKey is UDWRLQOCTHAZNN-HGGXKGRGSA-N. The full InChI is InChI=1S/C32H32N2O3/c1-18(2)17-25(30(35)33-19(3)20-11-5-4-6-12-20)34-31(36)28-26-21-13-7-8-14-22(21)27(29(28)32(34)37)24-16-10-9-15-23(24)26/h4-16,18-19,25-29H,17H2,1-3H3,(H,33,35)/t19-,25+,26?,27?,28+,29+/m1/s1.
What are the key properties of (2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide?
(2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide has a molecular weight of 492.62 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-4-methyl-N-[(1R)-1-phenylethyl]pentanamide is sourced from PubChem (CID 98231180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).