(2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide

C19H24N4O2 — CID 119287307

IUPAC(2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C19H24N4O2/c1-3-17(20)18(24)21-12-14-7-5-9-16(11-14)23-19(25)22-15-8-4-6-13(2)10-15/h4-11,17H,3,12,20H2,1-2H3,(H,21,24)(H2,22,23,25)/t17-/m0/s1
InChIKeyYMNCTQRBOVHCKV-KRWDZBQOSA-N
MW340.43 g/mol
LogP2.99
Rot. Bonds6

About (2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide

(2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide (PubChem CID 119287307) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide
PubChem CID119287307
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C19H24N4O2/c1-3-17(20)18(24)21-12-14-7-5-9-16(11-14)23-19(25)22-15-8-4-6-13(2)10-15/h4-11,17H,3,12,20H2,1-2H3,(H,21,24)(H2,22,23,25)/t17-/m0/s1
InChIKeyYMNCTQRBOVHCKV-KRWDZBQOSA-N
XLogP2.99
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-methylphenyl)methyl]butanamide
CID 60915006
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
2-(4-acetamidophenyl)sulfanyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide
CID 55957415
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide
CID 119287309
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
7-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]heptanamide;hydrochloride
CID 119719678
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide (CID 119287307) is (2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide is CC[C@H](N)C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of (2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide?
The InChIKey is YMNCTQRBOVHCKV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-17(20)18(24)21-12-14-7-5-9-16(11-14)23-19(25)22-15-8-4-6-13(2)10-15/h4-11,17H,3,12,20H2,1-2H3,(H,21,24)(H2,22,23,25)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide?
(2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide has a molecular weight of 340.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide is sourced from PubChem (CID 119287307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).