N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide

C15H23N3O2 — CID 94177222

IUPACN-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)C(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-9(2)11(4)16-15(20)18-14-8-13(17-12(5)19)7-6-10(14)3/h6-9,11H,1-5H3,(H,17,19)(H2,16,18,20)/t11-/m0/s1
InChIKeyUMCNCPPOJAITDW-NSHDSACASA-N
MW277.37 g/mol
LogP3.12
Rot. Bonds4

About N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide

N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide (PubChem CID 94177222) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
PubChem CID94177222
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)C(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-9(2)11(4)16-15(20)18-14-8-13(17-12(5)19)7-6-10(14)3/h6-9,11H,1-5H3,(H,17,19)(H2,16,18,20)/t11-/m0/s1
InChIKeyUMCNCPPOJAITDW-NSHDSACASA-N
XLogP3.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
CID 94692031
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
1-(5-cyano-2-methylphenyl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 94826096
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 55972242
N-[2-methyl-4-(3-methylbutan-2-ylcarbamoylamino)phenyl]propanamide
CID 47039759
5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62964215
N-(5-acetamido-2-methylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853430
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide (CID 94177222) is N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)C(C)C)c1.
What is the InChIKey of N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide?
The InChIKey is UMCNCPPOJAITDW-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9(2)11(4)16-15(20)18-14-8-13(17-12(5)19)7-6-10(14)3/h6-9,11H,1-5H3,(H,17,19)(H2,16,18,20)/t11-/m0/s1.
What are the key properties of N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide?
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 94177222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).