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

C13H19ClN2O2 — CID 103292496

IUPAC2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C13H19ClN2O2/c1-3-5-11(15)13(17)16-8-9-10(14)6-4-7-12(9)18-2/h4,6-7,11H,3,5,8,15H2,1-2H3,(H,16,17)
InChIKeySSSQSMAHAJWJDR-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.09
Rot. Bonds6

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

2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide (PubChem CID 103292496) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
PubChem CID103292496
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1c(Cl)cccc1OC
InChIInChI=1S/C13H19ClN2O2/c1-3-5-11(15)13(17)16-8-9-10(14)6-4-7-12(9)18-2/h4,6-7,11H,3,5,8,15H2,1-2H3,(H,16,17)
InChIKeySSSQSMAHAJWJDR-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methoxypentanamide
CID 103292338
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-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide
CID 119281603
(2R)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]pentanoic acid
CID 107567819
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide
CID 119333070
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxypentanamide
CID 103293468
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]pentanamide?
The IUPAC name of 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide (CID 103292496) is 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide is CCCC(N)C(=O)NCc1c(Cl)cccc1OC.
What is the InChIKey of 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide?
The InChIKey is SSSQSMAHAJWJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-5-11(15)13(17)16-8-9-10(14)6-4-7-12(9)18-2/h4,6-7,11H,3,5,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide?
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide has a molecular weight of 270.76 g/mol, XLogP of 2.09, 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]pentanamide is sourced from PubChem (CID 103292496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).