N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide

C17H19N3O2 — CID 46996402

IUPACN-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)N)c2)cc1
InChIInChI=1S/C17H19N3O2/c1-11-6-8-13(9-7-11)17(22)20-15-5-3-4-14(10-15)19-16(21)12(2)18/h3-10,12H,18H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyYJHHXTNHWULFPP-LBPRGKRZSA-N
MW297.36 g/mol
LogP2.53
Rot. Bonds4

About N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide

N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide (PubChem CID 46996402) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide
PubChem CID46996402
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)N)c2)cc1
InChIInChI=1S/C17H19N3O2/c1-11-6-8-13(9-7-11)17(22)20-15-5-3-4-14(10-15)19-16(21)12(2)18/h3-10,12H,18H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1
InChIKeyYJHHXTNHWULFPP-LBPRGKRZSA-N
XLogP2.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride
CID 154890074
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
3-(2-aminopropanoylamino)benzamide
CID 61258270
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956
N-[3-(1-anilino-1-oxopropan-2-yl)sulfanylphenyl]-4-methylbenzamide
CID 18906978
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide (CID 46996402) is N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@H](C)N)c2)cc1.
What is the InChIKey of N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide?
The InChIKey is YJHHXTNHWULFPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-6-8-13(9-7-11)17(22)20-15-5-3-4-14(10-15)19-16(21)12(2)18/h3-10,12H,18H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide?
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide has a molecular weight of 297.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide is sourced from PubChem (CID 46996402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).