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

C13H19ClN2O2 — CID 103292504

IUPAC5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
SMILESCOc1cccc(Cl)c1CNC(=O)CCCCN
InChIInChI=1S/C13H19ClN2O2/c1-18-12-6-4-5-11(14)10(12)9-16-13(17)7-2-3-8-15/h4-6H,2-3,7-9,15H2,1H3,(H,16,17)
InChIKeyLKSZUXWKRXJUHF-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.09
Rot. Bonds7

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

5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide (PubChem CID 103292504) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
PubChem CID103292504
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
SMILESCOc1cccc(Cl)c1CNC(=O)CCCCN
InChIInChI=1S/C13H19ClN2O2/c1-18-12-6-4-5-11(14)10(12)9-16-13(17)7-2-3-8-15/h4-6H,2-3,7-9,15H2,1H3,(H,16,17)
InChIKeyLKSZUXWKRXJUHF-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
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
5-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 2812331
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 103292336
7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide
CID 119779149
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pent-4-enamide
CID 103292415
2-amino-N-[(2,6-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 20788707
4-amino-N-[(3-chloro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119337512
4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 103292345

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide?
The IUPAC name of 5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide (CID 103292504) is 5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for 5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide is COc1cccc(Cl)c1CNC(=O)CCCCN.
What is the InChIKey of 5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide?
The InChIKey is LKSZUXWKRXJUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-18-12-6-4-5-11(14)10(12)9-16-13(17)7-2-3-8-15/h4-6H,2-3,7-9,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide?
5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide has a molecular weight of 270.76 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 103292504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).