N-butyl-2,3-dimethoxyprop-2-enamide

C9H17NO3 — CID 54199126

IUPACN-butyl-2,3-dimethoxyprop-2-enamide
SMILESCCCCNC(=O)C(=COC)OC
InChIInChI=1S/C9H17NO3/c1-4-5-6-10-9(11)8(13-3)7-12-2/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyPNYYLACETAUDRJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.04
Rot. Bonds6

About N-butyl-2,3-dimethoxyprop-2-enamide

N-butyl-2,3-dimethoxyprop-2-enamide (PubChem CID 54199126) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-butyl-2,3-dimethoxyprop-2-enamide.

Molecular Properties

Compound NameN-butyl-2,3-dimethoxyprop-2-enamide
PubChem CID54199126
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-butyl-2,3-dimethoxyprop-2-enamide
SMILESCCCCNC(=O)C(=COC)OC
InChIInChI=1S/C9H17NO3/c1-4-5-6-10-9(11)8(13-3)7-12-2/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyPNYYLACETAUDRJ-UHFFFAOYSA-N
XLogP1.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-butyl-2,3-dimethoxyprop-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

2-ethoxy-N-isopropylacrylamide
CID 11275142
2-methoxy-N-(propan-2-yl)prop-2-enamide
CID 13399116
2-ethoxy-N-propylacrylamide
CID 21593456
N-isopropyl-2-methoxy-2,3-butadieneamide
CID 11815969
2-methoxy-N-propyl-2,3-butadieneamide
CID 15522204
2-methoxy-N-propylacrylamide
CID 55287359
2-butoxy-N-propylacrylamide
CID 85969592
N-butyl-2-ethoxyprop-2-enamide
CID 20465482
2-ethoxy-N-ethylprop-2-enamide
CID 55288278
(E)-N-ethyl-2,3-dimethoxybut-2-enamide
CID 59963763
N-propyl-1,3-dioxole-4-carboxamide
CID 69149677
N-ethyl-2,3-dimethoxybut-2-enamide
CID 72608275

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3-dimethoxyprop-2-enamide?
The IUPAC name of N-butyl-2,3-dimethoxyprop-2-enamide (CID 54199126) is N-butyl-2,3-dimethoxyprop-2-enamide.
What is the SMILES notation for N-butyl-2,3-dimethoxyprop-2-enamide?
The canonical SMILES for N-butyl-2,3-dimethoxyprop-2-enamide is CCCCNC(=O)C(=COC)OC.
What is the InChIKey of N-butyl-2,3-dimethoxyprop-2-enamide?
The InChIKey is PNYYLACETAUDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-5-6-10-9(11)8(13-3)7-12-2/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-butyl-2,3-dimethoxyprop-2-enamide?
N-butyl-2,3-dimethoxyprop-2-enamide has a molecular weight of 187.24 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3-dimethoxyprop-2-enamide is sourced from PubChem (CID 54199126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).