N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide

C17H19N3O3 — CID 46987181

IUPACN-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@H](N)CO)c1
InChIInChI=1S/C17H19N3O3/c1-11-7-8-14(15(9-11)20-17(23)13(18)10-21)19-16(22)12-5-3-2-4-6-12/h2-9,13,21H,10,18H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyKDKMCUUQRBUEPT-CYBMUJFWSA-N
MW313.36 g/mol
LogP1.51
Rot. Bonds5

About N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide

N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide (PubChem CID 46987181) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide
PubChem CID46987181
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@H](N)CO)c1
InChIInChI=1S/C17H19N3O3/c1-11-7-8-14(15(9-11)20-17(23)13(18)10-21)19-16(22)12-5-3-2-4-6-12/h2-9,13,21H,10,18H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyKDKMCUUQRBUEPT-CYBMUJFWSA-N
XLogP1.51
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide
CID 168521332
N-(2-ethyl-4-methylphenyl)benzamide
CID 174323635
3-methyl-N-[5-methyl-2-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 2204297
N-(4-methyl-2-phenylsulfanylphenyl)benzamide
CID 164683157
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 119265950
N-(5-methyl-2-prop-1-en-2-ylphenyl)benzamide
CID 154709927
3,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 1296278
2,2-dichloro-N-[2-[(2,2-dichloroacetyl)amino]-4-methylphenyl]acetamide
CID 4120076
N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265926
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
CID 39185722

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide?
The IUPAC name of N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide (CID 46987181) is N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide.
What is the SMILES notation for N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide?
The canonical SMILES for N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@H](N)CO)c1.
What is the InChIKey of N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide?
The InChIKey is KDKMCUUQRBUEPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-7-8-14(15(9-11)20-17(23)13(18)10-21)19-16(22)12-5-3-2-4-6-12/h2-9,13,21H,10,18H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide?
N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide is sourced from PubChem (CID 46987181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).