N-carbamoyl-2-(2-methylpropyl)pent-4-enamide

C10H18N2O2 — CID 588445

IUPACN-carbamoyl-2-(2-methylpropyl)pent-4-enamide
SMILESC=CCC(CC(C)C)C(=O)NC(N)=O
InChIInChI=1S/C10H18N2O2/c1-4-5-8(6-7(2)3)9(13)12-10(11)14/h4,7-8H,1,5-6H2,2-3H3,(H3,11,12,13,14)
InChIKeyFEQDIJMIYDHPMI-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.42
Rot. Bonds5

About N-carbamoyl-2-(2-methylpropyl)pent-4-enamide

N-carbamoyl-2-(2-methylpropyl)pent-4-enamide (PubChem CID 588445) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-carbamoyl-2-(2-methylpropyl)pent-4-enamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2-methylpropyl)pent-4-enamide
PubChem CID588445
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-carbamoyl-2-(2-methylpropyl)pent-4-enamide
SMILESC=CCC(CC(C)C)C(=O)NC(N)=O
InChIInChI=1S/C10H18N2O2/c1-4-5-8(6-7(2)3)9(13)12-10(11)14/h4,7-8H,1,5-6H2,2-3H3,(H3,11,12,13,14)
InChIKeyFEQDIJMIYDHPMI-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Allylisopropylacetylurea
CID 10715
Allylethylacetylbiuret
CID 20846579
1-Methyl-3-(2-allyl-pent-4-enoyl)-urea
CID 586937
N-carbamoyl-2-propylpent-4-enamide
CID 231347
N-carbamoyl-2-ethylbut-3-enamide
CID 163943952
N-carbamoyl-3-(2,2-dimethylpropyl)hex-5-enamide
CID 175127327
n-Carbamoyl-2-(prop-2-en-1-yl)pent-4-enamide
CID 231288
N-carbamoyl-2-prop-2-enylheptanamide
CID 231346
N-carbamoyl-3-methyl-2-prop-2-enylhexanamide
CID 233155
N-(carbamoylcarbamoyl)-3-methylhex-5-enamide
CID 11971859
N,N-dicarbamoyl-2-ethylpent-4-enamide
CID 24839246
(2R)-N-carbamoyl-2-propan-2-ylpent-4-enamide
CID 76961141

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2-methylpropyl)pent-4-enamide?
The IUPAC name of N-carbamoyl-2-(2-methylpropyl)pent-4-enamide (CID 588445) is N-carbamoyl-2-(2-methylpropyl)pent-4-enamide.
What is the SMILES notation for N-carbamoyl-2-(2-methylpropyl)pent-4-enamide?
The canonical SMILES for N-carbamoyl-2-(2-methylpropyl)pent-4-enamide is C=CCC(CC(C)C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2-methylpropyl)pent-4-enamide?
The InChIKey is FEQDIJMIYDHPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-8(6-7(2)3)9(13)12-10(11)14/h4,7-8H,1,5-6H2,2-3H3,(H3,11,12,13,14).
What are the key properties of N-carbamoyl-2-(2-methylpropyl)pent-4-enamide?
N-carbamoyl-2-(2-methylpropyl)pent-4-enamide has a molecular weight of 198.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2-methylpropyl)pent-4-enamide is sourced from PubChem (CID 588445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).