2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide

C14H21ClN2O3 — CID 103292338

IUPAC2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C14H21ClN2O3/c1-19-8-4-6-12(16)14(18)17-9-10-11(15)5-3-7-13(10)20-2/h3,5,7,12H,4,6,8-9,16H2,1-2H3,(H,17,18)
InChIKeyZGZUTKRPTRSUAB-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.72
Rot. Bonds8

About 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide

2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide (PubChem CID 103292338) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide
PubChem CID103292338
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C14H21ClN2O3/c1-19-8-4-6-12(16)14(18)17-9-10-11(15)5-3-7-13(10)20-2/h3,5,7,12H,4,6,8-9,16H2,1-2H3,(H,17,18)
InChIKeyZGZUTKRPTRSUAB-UHFFFAOYSA-N
XLogP1.72
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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]pent-4-enamide
CID 103292415
(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
2-amino-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 106260897
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide
CID 114332295
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide (CID 103292338) is 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide is COCCCC(N)C(=O)NCc1c(Cl)cccc1OC.
What is the InChIKey of 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide?
The InChIKey is ZGZUTKRPTRSUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-19-8-4-6-12(16)14(18)17-9-10-11(15)5-3-7-13(10)20-2/h3,5,7,12H,4,6,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide?
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide has a molecular weight of 300.79 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide is sourced from PubChem (CID 103292338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).