2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide

C16H25N3O2 — CID 42908939

IUPAC2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-5-11(4)14(19-16(17)21)15(20)18-13-8-6-12(7-9-13)10(2)3/h6-11,14H,5H2,1-4H3,(H,18,20)(H3,17,19,21)
InChIKeyNNZDIEDENOHEPW-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.83
Rot. Bonds6

About 2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide

2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide (PubChem CID 42908939) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide
PubChem CID42908939
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-5-11(4)14(19-16(17)21)15(20)18-13-8-6-12(7-9-13)10(2)3/h6-11,14H,5H2,1-4H3,(H,18,20)(H3,17,19,21)
InChIKeyNNZDIEDENOHEPW-UHFFFAOYSA-N
XLogP2.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.83
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)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
CID 64792800
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458
2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide
CID 61221427
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
2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 3924237
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
methyl (2S,3R)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanoate
CID 945899
methyl (2R,3S)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanoate
CID 7678082
(2S,3S)-N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-3-methylpentanamide
CID 2373139

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide (CID 42908939) is 2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide is CCC(C)C(NC(N)=O)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide?
The InChIKey is NNZDIEDENOHEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-11(4)14(19-16(17)21)15(20)18-13-8-6-12(7-9-13)10(2)3/h6-11,14H,5H2,1-4H3,(H,18,20)(H3,17,19,21).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide?
2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide has a molecular weight of 291.40 g/mol, XLogP of 2.83, 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-propan-2-ylphenyl)pentanamide is sourced from PubChem (CID 42908939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).