3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide

C18H21N3O2 — CID 17193970

IUPAC3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13(2)12-17(22)19-15-8-10-16(11-9-15)21-18(23)20-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyWHQXTUQTCOXXCM-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.32
Rot. Bonds5

About 3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide

3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide (PubChem CID 17193970) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
PubChem CID17193970
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13(2)12-17(22)19-15-8-10-16(11-9-15)21-18(23)20-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyWHQXTUQTCOXXCM-UHFFFAOYSA-N
XLogP4.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
CID 32537851
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-3-methylbutanamide;hydrochloride
CID 119278732
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide
CID 33034304
3-amino-N-phenylpentanamide
CID 79006475
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
CID 110726327

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide (CID 17193970) is 3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide?
The InChIKey is WHQXTUQTCOXXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(2)12-17(22)19-15-8-10-16(11-9-15)21-18(23)20-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide?
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide has a molecular weight of 311.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide is sourced from PubChem (CID 17193970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).