2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide

C19H23N3O2 — CID 4785458

IUPAC2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-3-13(2)17(22-19(20)24)18(23)21-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,17H,3H2,1-2H3,(H,21,23)(H3,20,22,24)
InChIKeyPFDKKDMUPKOTMH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.38
Rot. Bonds6

About 2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide

2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide (PubChem CID 4785458) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
PubChem CID4785458
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-3-13(2)17(22-19(20)24)18(23)21-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,17H,3H2,1-2H3,(H,21,23)(H3,20,22,24)
InChIKeyPFDKKDMUPKOTMH-UHFFFAOYSA-N
XLogP3.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
CID 24640883
2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 42908939
2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
CID 64792800
2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide
CID 61221427
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenylphenyl)pentanamide
CID 126005006
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 3924237
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
CID 46467490

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide (CID 4785458) is 2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide is CCC(C)C(NC(N)=O)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide?
The InChIKey is PFDKKDMUPKOTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-13(2)17(22-19(20)24)18(23)21-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,17H,3H2,1-2H3,(H,21,23)(H3,20,22,24).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide?
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide has a molecular weight of 325.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide is sourced from PubChem (CID 4785458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).