6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide

C30H47N5O6 — CID 118017030

IUPAC6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide
SMILESCC(=O)CCCCCNC(=O)CN(CC(=O)NCCCCCC(=O)Nc1ccccc1)CC(=O)NCCCC(C)=O
InChIInChI=1S/C30H47N5O6/c1-24(36)13-6-4-10-18-31-28(39)21-35(23-30(41)33-20-12-14-25(2)37)22-29(40)32-19-11-5-9-17-27(38)34-26-15-7-3-8-16-26/h3,7-8,15-16H,4-6,9-14,17-23H2,1-2H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)
InChIKeyTYOUAANPTCKECX-UHFFFAOYSA-N
MW573.74 g/mol
LogP2.35
Rot. Bonds23

About 6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide

6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide (PubChem CID 118017030) has the molecular formula C30H47N5O6 and a molecular weight of 573.74 g/mol. Its IUPAC name is 6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide.

Molecular Properties

Compound Name6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide
PubChem CID118017030
Molecular FormulaC30H47N5O6
Molecular Weight573.74 g/mol
Exact Mass573.35
IUPAC Name6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide
SMILESCC(=O)CCCCCNC(=O)CN(CC(=O)NCCCCCC(=O)Nc1ccccc1)CC(=O)NCCCC(C)=O
InChIInChI=1S/C30H47N5O6/c1-24(36)13-6-4-10-18-31-28(39)21-35(23-30(41)33-20-12-14-25(2)37)22-29(40)32-19-11-5-9-17-27(38)34-26-15-7-3-8-16-26/h3,7-8,15-16H,4-6,9-14,17-23H2,1-2H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)
InChIKeyTYOUAANPTCKECX-UHFFFAOYSA-N
XLogP2.35
TPSA153.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.74
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(2-oxopropanoylamino)-N-phenylhexanamide
CID 162677801
S-[2-[(6-anilino-6-oxohexyl)amino]-2-oxoethyl] ethanethioate
CID 11370695
N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide
CID 11623126
CID 168891726
CID 168891726
6-formamido-N-phenylhexanamide
CID 156509815
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
7-bromo-N-phenylheptanamide
CID 11266084
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
11-anilino-11-oxoundecanoic acid
CID 150341840
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
6-[dihydroxy(methyl)silyl]-N-phenylhexanamide
CID 11565230

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide?
The IUPAC name of 6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide (CID 118017030) is 6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide.
What is the SMILES notation for 6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide?
The canonical SMILES for 6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide is CC(=O)CCCCCNC(=O)CN(CC(=O)NCCCCCC(=O)Nc1ccccc1)CC(=O)NCCCC(C)=O.
What is the InChIKey of 6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide?
The InChIKey is TYOUAANPTCKECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47N5O6/c1-24(36)13-6-4-10-18-31-28(39)21-35(23-30(41)33-20-12-14-25(2)37)22-29(40)32-19-11-5-9-17-27(38)34-26-15-7-3-8-16-26/h3,7-8,15-16H,4-6,9-14,17-23H2,1-2H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38).
What are the key properties of 6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide?
6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide has a molecular weight of 573.74 g/mol, XLogP of 2.35, 23 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[[2-oxo-2-(6-oxoheptylamino)ethyl]-[2-oxo-2-(4-oxopentylamino)ethyl]amino]acetyl]amino]-N-phenylhexanamide is sourced from PubChem (CID 118017030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).