2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide

C13H19ClN2O3 — CID 81089395

IUPAC2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1cc(OC)ccc1Cl
InChIInChI=1S/C13H19ClN2O3/c1-18-7-3-4-11(15)13(17)16-12-8-9(19-2)5-6-10(12)14/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeySETOMWIWTVCSRN-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.04
Rot. Bonds7

About 2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide

2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide (PubChem CID 81089395) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide
PubChem CID81089395
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1cc(OC)ccc1Cl
InChIInChI=1S/C13H19ClN2O3/c1-18-7-3-4-11(15)13(17)16-12-8-9(19-2)5-6-10(12)14/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeySETOMWIWTVCSRN-UHFFFAOYSA-N
XLogP2.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.04
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

(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
CID 107569473
2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide
CID 104727023
2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid
CID 115411605
methyl 2-[(2-amino-5-methoxypentanoyl)amino]-4-chlorobenzoate
CID 81084917
2-amino-5-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)pentanamide
CID 81071157
2-amino-N-(2-chloro-4-nitrophenyl)-5-methoxypentanamide
CID 81083150
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-amino-N-(4-ethoxy-2-methylphenyl)-5-methoxypentanamide
CID 81082492
2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide
CID 81083183
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide
CID 81084287
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735
2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide
CID 81071022

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide (CID 81089395) is 2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide is COCCCC(N)C(=O)Nc1cc(OC)ccc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide?
The InChIKey is SETOMWIWTVCSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-18-7-3-4-11(15)13(17)16-12-8-9(19-2)5-6-10(12)14/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide?
2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide has a molecular weight of 286.76 g/mol, XLogP of 2.04, 7 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-5-methoxyphenyl)-5-methoxypentanamide is sourced from PubChem (CID 81089395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).