N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide

C26H27N3O3 — CID 5227742

IUPACN-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O3/c1-18(2)17-23(30)27-22-15-13-21(14-16-22)25(31)28-29-26(32)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,18,24H,17H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyJWMGIIIMPAQNFY-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.26
Rot. Bonds7

About N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide

N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide (PubChem CID 5227742) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide
PubChem CID5227742
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O3/c1-18(2)17-23(30)27-22-15-13-21(14-16-22)25(31)28-29-26(32)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,18,24H,17H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyJWMGIIIMPAQNFY-UHFFFAOYSA-N
XLogP4.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[4-[[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]carbamoyl]phenyl]butanamide
CID 42426777
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
N-[4-[(2,2-diphenylacetyl)amino]phenyl]-3-hydroxybutanamide
CID 110179103
4-tert-butyl-N'-(2,2-diphenylacetyl)benzohydrazide
CID 3260570
4-(diethylamino)-N'-(2,2-diphenylacetyl)benzohydrazide
CID 7551714
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide
CID 33034304
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
CID 33026876
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide
CID 135320602

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide (CID 5227742) is N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide?
The InChIKey is JWMGIIIMPAQNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18(2)17-23(30)27-22-15-13-21(14-16-22)25(31)28-29-26(32)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,18,24H,17H2,1-2H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide?
N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide has a molecular weight of 429.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 5227742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).