2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide

C13H17ClN2O2 — CID 103292415

IUPAC2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C13H17ClN2O2/c1-3-5-11(15)13(17)16-8-9-10(14)6-4-7-12(9)18-2/h3-4,6-7,11H,1,5,8,15H2,2H3,(H,16,17)
InChIKeyUFMMSYXLUUSGBR-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.87
Rot. Bonds6

About 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide

2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide (PubChem CID 103292415) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide
PubChem CID103292415
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C13H17ClN2O2/c1-3-5-11(15)13(17)16-8-9-10(14)6-4-7-12(9)18-2/h3-4,6-7,11H,1,5,8,15H2,2H3,(H,16,17)
InChIKeyUFMMSYXLUUSGBR-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292496
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide
CID 103292338
(2S)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpentanamide
CID 103292466
(2R)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-2-phenylacetamide
CID 103292472
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 103292336
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292504
2-amino-1-(2,6-dimethoxyphenyl)pent-4-en-1-one
CID 116811614
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
2-[(2-chloro-6-methoxyphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 103293157

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide?
The IUPAC name of 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide (CID 103292415) is 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide.
What is the SMILES notation for 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide?
The canonical SMILES for 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide is C=CCC(N)C(=O)NCc1c(Cl)cccc1OC.
What is the InChIKey of 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide?
The InChIKey is UFMMSYXLUUSGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-5-11(15)13(17)16-8-9-10(14)6-4-7-12(9)18-2/h3-4,6-7,11H,1,5,8,15H2,2H3,(H,16,17).
What are the key properties of 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide?
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide has a molecular weight of 268.74 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide is sourced from PubChem (CID 103292415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).