N-butyl-N-carbamoylprop-2-enamide

C8H14N2O2 — CID 22435582

IUPACN-butyl-N-carbamoylprop-2-enamide
SMILESC=CC(=O)N(CCCC)C(N)=O
InChIInChI=1S/C8H14N2O2/c1-3-5-6-10(8(9)12)7(11)4-2/h4H,2-3,5-6H2,1H3,(H2,9,12)
InChIKeyIBYNDMJIILTILB-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.88
Rot. Bonds4

About N-butyl-N-carbamoylprop-2-enamide

N-butyl-N-carbamoylprop-2-enamide (PubChem CID 22435582) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-butyl-N-carbamoylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-carbamoylprop-2-enamide
PubChem CID22435582
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-butyl-N-carbamoylprop-2-enamide
SMILESC=CC(=O)N(CCCC)C(N)=O
InChIInChI=1S/C8H14N2O2/c1-3-5-6-10(8(9)12)7(11)4-2/h4H,2-3,5-6H2,1H3,(H2,9,12)
InChIKeyIBYNDMJIILTILB-UHFFFAOYSA-N
XLogP0.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide
CID 89189682
pentane;prop-2-enamide
CID 139391622
N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide
CID 90960823
N-prop-2-enoyl-N-propylpropanamide
CID 143653418
ethyl 2-[butyl(prop-2-enoyl)amino]acetate
CID 134486294
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
N-butyl-N-(5,5-difluoropentyl)prop-2-enamide
CID 89352114
N-butyl-N-phenylprop-2-enamide
CID 43619884
N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
CID 87562000
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
N-(2-aminoacetyl)-N-ethylprop-2-enamide
CID 87561036

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-carbamoylprop-2-enamide?
The IUPAC name of N-butyl-N-carbamoylprop-2-enamide (CID 22435582) is N-butyl-N-carbamoylprop-2-enamide.
What is the SMILES notation for N-butyl-N-carbamoylprop-2-enamide?
The canonical SMILES for N-butyl-N-carbamoylprop-2-enamide is C=CC(=O)N(CCCC)C(N)=O.
What is the InChIKey of N-butyl-N-carbamoylprop-2-enamide?
The InChIKey is IBYNDMJIILTILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-5-6-10(8(9)12)7(11)4-2/h4H,2-3,5-6H2,1H3,(H2,9,12).
What are the key properties of N-butyl-N-carbamoylprop-2-enamide?
N-butyl-N-carbamoylprop-2-enamide has a molecular weight of 170.21 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-carbamoylprop-2-enamide is sourced from PubChem (CID 22435582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).