N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide

C18H22N4O2 — CID 46467490

IUPACN-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H22N4O2/c1-12(2)16(22-18(19)24)17(23)21-15-10-8-14(9-11-15)20-13-6-4-3-5-7-13/h3-12,16,20H,1-2H3,(H,21,23)(H3,19,22,24)
InChIKeyPSYCMAKFSYIXQI-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.06
Rot. Bonds6

About N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide

N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide (PubChem CID 46467490) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
PubChem CID46467490
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H22N4O2/c1-12(2)16(22-18(19)24)17(23)21-15-10-8-14(9-11-15)20-13-6-4-3-5-7-13/h3-12,16,20H,1-2H3,(H,21,23)(H3,19,22,24)
InChIKeyPSYCMAKFSYIXQI-UHFFFAOYSA-N
XLogP3.06
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide 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-[4-[[2-(carbamoylamino)-3-methylbutanoyl]amino]phenyl]acetic acid
CID 43358520
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473
(2S)-2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylbutanamide
CID 51985199
(2S)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
CID 34977565
(2S)-2-(chloroamino)-3-methyl-N-phenylbutanamide
CID 88902411
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide
CID 42905378
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
(2S)-2-(carbamoylamino)-N-(3,4-difluorophenyl)-3-methylbutanamide
CID 9210236
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458
N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide?
The IUPAC name of N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide (CID 46467490) is N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide is CC(C)C(NC(N)=O)C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide?
The InChIKey is PSYCMAKFSYIXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)16(22-18(19)24)17(23)21-15-10-8-14(9-11-15)20-13-6-4-3-5-7-13/h3-12,16,20H,1-2H3,(H,21,23)(H3,19,22,24).
What are the key properties of N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide?
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide has a molecular weight of 326.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide is sourced from PubChem (CID 46467490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).