N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide

C12H23NO2 — CID 140828281

IUPACN-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)C(O)CCC
InChIInChI=1S/C12H23NO2/c1-5-7-9-13(11(14)8-6-2)12(15)10(3)4/h11,14H,3,5-9H2,1-2,4H3
InChIKeyZQVXIBZSXVKEHC-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.31
Rot. Bonds7

About N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide

N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide (PubChem CID 140828281) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide
PubChem CID140828281
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)C(O)CCC
InChIInChI=1S/C12H23NO2/c1-5-7-9-13(11(14)8-6-2)12(15)10(3)4/h11,14H,3,5-9H2,1-2,4H3
InChIKeyZQVXIBZSXVKEHC-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 174975704
N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide
CID 87504496
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
pentadecan-4-amine;N,N,2-trimethylprop-2-enamide
CID 87882599
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
1-(dibutylamino)butan-1-ol
CID 19802147
2-methyl-N-pentylprop-2-enehydrazide
CID 87197020
2-[[methyl(2-methylprop-2-enoyl)amino]methyl]hexanoic acid
CID 91186254
N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
CID 174766314
butyl(pentan-2-yl)carbamothioic S-acid
CID 23617378
bis(2-methylprop-2-enoic acid);pentane-1,1-diol
CID 87132551

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide?
The IUPAC name of N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide (CID 140828281) is N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide?
The canonical SMILES for N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CCCC)C(O)CCC.
What is the InChIKey of N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide?
The InChIKey is ZQVXIBZSXVKEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-7-9-13(11(14)8-6-2)12(15)10(3)4/h11,14H,3,5-9H2,1-2,4H3.
What are the key properties of N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide?
N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide is sourced from PubChem (CID 140828281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).