(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide

C19H23N3O2 — CID 94782001

IUPAC(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
SMILESCc1ccc(NC(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-9-11-16(12-10-14)20-19(24)21-17(13-18(23)22(2)3)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H2,20,21,24)/t17-/m0/s1
InChIKeyKTXDLBKESNDCLA-KRWDZBQOSA-N
MW325.41 g/mol
LogP3.34
Rot. Bonds5

About (3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide

(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide (PubChem CID 94782001) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
PubChem CID94782001
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
SMILESCc1ccc(NC(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-9-11-16(12-10-14)20-19(24)21-17(13-18(23)22(2)3)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H2,20,21,24)/t17-/m0/s1
InChIKeyKTXDLBKESNDCLA-KRWDZBQOSA-N
XLogP3.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide
CID 94782805
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide
CID 47072840
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide
CID 142268155
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973
1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea
CID 8933297
1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide (CID 94782001) is (3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide is Cc1ccc(NC(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide?
The InChIKey is KTXDLBKESNDCLA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-9-11-16(12-10-14)20-19(24)21-17(13-18(23)22(2)3)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H2,20,21,24)/t17-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide?
(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 94782001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).