2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide

C21H27N3O2 — CID 51945466

IUPAC2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-15(2)20(25)23-18-11-13-19(14-12-18)24-21(26)22-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-16H,9-10H2,1-3H3,(H,23,25)(H2,22,24,26)/t16-/m1/s1
InChIKeyUQYIMJREHVHGMZ-MRXNPFEDSA-N
MW353.47 g/mol
LogP4.42
Rot. Bonds7

About 2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide

2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide (PubChem CID 51945466) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
PubChem CID51945466
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-15(2)20(25)23-18-11-13-19(14-12-18)24-21(26)22-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-16H,9-10H2,1-3H3,(H,23,25)(H2,22,24,26)/t16-/m1/s1
InChIKeyUQYIMJREHVHGMZ-MRXNPFEDSA-N
XLogP4.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[4-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945465
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
CID 2554170
1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
CID 17217829
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473
1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea
CID 60603578
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea
CID 60543351
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide (CID 51945466) is 2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC(=O)N[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide?
The InChIKey is UQYIMJREHVHGMZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)20(25)23-18-11-13-19(14-12-18)24-21(26)22-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-16H,9-10H2,1-3H3,(H,23,25)(H2,22,24,26)/t16-/m1/s1.
What are the key properties of 2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide?
2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 4.42, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide is sourced from PubChem (CID 51945466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).