N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide

C13H17ClN2O2 — CID 103292336

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C13H17ClN2O2/c1-3-7-15-9-13(17)16-8-10-11(14)5-4-6-12(10)18-2/h3-6,15H,1,7-9H2,2H3,(H,16,17)
InChIKeyUCABRYKGMSFXJC-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.74
Rot. Bonds7

About N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide

N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide (PubChem CID 103292336) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
PubChem CID103292336
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C13H17ClN2O2/c1-3-7-15-9-13(17)16-8-10-11(14)5-4-6-12(10)18-2/h3-6,15H,1,7-9H2,2H3,(H,16,17)
InChIKeyUCABRYKGMSFXJC-UHFFFAOYSA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide 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

methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292504
2-[(2-chloro-6-methoxyphenyl)methylamino]-N-(3-methylbutyl)acetamide
CID 103292213
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide
CID 103292415
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
2-(prop-2-enylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 78912271
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
2-[(2-chloro-6-methoxyphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 103293157
N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide
CID 103292396
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide (CID 103292336) is N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCc1c(Cl)cccc1OC.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is UCABRYKGMSFXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-7-15-9-13(17)16-8-10-11(14)5-4-6-12(10)18-2/h3-6,15H,1,7-9H2,2H3,(H,16,17).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 268.74 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 103292336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).