(2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide

C21H27N3O2 — CID 9289300

IUPAC(2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
SMILESCCCNC(=O)CN(C)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-4-14-22-19(25)15-24(3)20(17-8-6-5-7-9-17)21(26)23-18-12-10-16(2)11-13-18/h5-13,20H,4,14-15H2,1-3H3,(H,22,25)(H,23,26)/t20-/m0/s1
InChIKeyJYOISWWKMYTMSE-FQEVSTJZSA-N
MW353.47 g/mol
LogP3.13
Rot. Bonds8

About (2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide

(2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide (PubChem CID 9289300) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
PubChem CID9289300
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
SMILESCCCNC(=O)CN(C)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-4-14-22-19(25)15-24(3)20(17-8-6-5-7-9-17)21(26)23-18-12-10-16(2)11-13-18/h5-13,20H,4,14-15H2,1-3H3,(H,22,25)(H,23,26)/t20-/m0/s1
InChIKeyJYOISWWKMYTMSE-FQEVSTJZSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)-2-phenylacetamide
CID 9053195
(2R)-N,N-dimethyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 8785935
N-(3-methoxyphenyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 4883661
(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 9049752
(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9356943
(2S)-N-(4-bromophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9302580
(2R)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9356945
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 8767309
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938
2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylamino]-N-propylacetamide
CID 9356953
2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide
CID 8785626
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide (CID 9289300) is (2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide is CCCNC(=O)CN(C)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide?
The InChIKey is JYOISWWKMYTMSE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-14-22-19(25)15-24(3)20(17-8-6-5-7-9-17)21(26)23-18-12-10-16(2)11-13-18/h5-13,20H,4,14-15H2,1-3H3,(H,22,25)(H,23,26)/t20-/m0/s1.
What are the key properties of (2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide?
(2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide has a molecular weight of 353.47 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-N-(4-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 9289300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).