3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide

C16H23N3O3 — CID 8733376

IUPAC3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C16H23N3O3/c1-4-8-17-15(21)12(3)19-14(20)10-18-16(22)13-7-5-6-11(2)9-13/h5-7,9,12H,4,8,10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m1/s1
InChIKeyNNNOJRZNMODRDH-GFCCVEGCSA-N
MW305.38 g/mol
LogP0.76
Rot. Bonds7

About 3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide

3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide (PubChem CID 8733376) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide
PubChem CID8733376
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C16H23N3O3/c1-4-8-17-15(21)12(3)19-14(20)10-18-16(22)13-7-5-6-11(2)9-13/h5-7,9,12H,4,8,10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m1/s1
InChIKeyNNNOJRZNMODRDH-GFCCVEGCSA-N
XLogP0.76
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
N-[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771996
N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 39964519
3-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51196385
3-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992878
3-fluoro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992916
3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992872
2-methyl-4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 80537249
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9481826
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
4-hydroxy-2-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 61242923

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide (CID 8733376) is 3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide is CCCNC(=O)[C@@H](C)NC(=O)CNC(=O)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide?
The InChIKey is NNNOJRZNMODRDH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-8-17-15(21)12(3)19-14(20)10-18-16(22)13-7-5-6-11(2)9-13/h5-7,9,12H,4,8,10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m1/s1.
What are the key properties of 3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide?
3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide has a molecular weight of 305.38 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 8733376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).