2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide

C21H31N3O3 — CID 154875932

IUPAC2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide
SMILESCCC(CNC(=O)C1(C(C)C)CC1)NC(=O)c1ccccc1N(C)C(C)=O
InChIInChI=1S/C21H31N3O3/c1-6-16(13-22-20(27)21(11-12-21)14(2)3)23-19(26)17-9-7-8-10-18(17)24(5)15(4)25/h7-10,14,16H,6,11-13H2,1-5H3,(H,22,27)(H,23,26)
InChIKeyRFBALBZCKSTUFD-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.73
Rot. Bonds8

About 2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide

2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide (PubChem CID 154875932) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide
PubChem CID154875932
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide
SMILESCCC(CNC(=O)C1(C(C)C)CC1)NC(=O)c1ccccc1N(C)C(C)=O
InChIInChI=1S/C21H31N3O3/c1-6-16(13-22-20(27)21(11-12-21)14(2)3)23-19(26)17-9-7-8-10-18(17)24(5)15(4)25/h7-10,14,16H,6,11-13H2,1-5H3,(H,22,27)(H,23,26)
InChIKeyRFBALBZCKSTUFD-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid
CID 43469297
2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide
CID 115703920
2-[acetyl(methyl)amino]-N-(2-hydroxypentyl)benzamide
CID 115700978
1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449575
(2S,3R)-2-[[2-[acetyl(methyl)amino]benzoyl]amino]-3-hydroxybutanoic acid
CID 104964612
methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
CID 103958098
2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103755895
2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
CID 119224969
2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927739
N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide
CID 80703132
N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
N-butan-2-yl-2-methoxybenzamide
CID 3117660

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide (CID 154875932) is 2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide is CCC(CNC(=O)C1(C(C)C)CC1)NC(=O)c1ccccc1N(C)C(C)=O.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide?
The InChIKey is RFBALBZCKSTUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-6-16(13-22-20(27)21(11-12-21)14(2)3)23-19(26)17-9-7-8-10-18(17)24(5)15(4)25/h7-10,14,16H,6,11-13H2,1-5H3,(H,22,27)(H,23,26).
What are the key properties of 2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide?
2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[1-[(1-propan-2-ylcyclopropanecarbonyl)amino]butan-2-yl]benzamide is sourced from PubChem (CID 154875932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).