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

C14H21ClN2O3 — CID 81083183

IUPAC2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)C(N)CCCOC
InChIInChI=1S/C14H21ClN2O3/c1-3-20-13-7-6-10(15)9-12(13)17-14(18)11(16)5-4-8-19-2/h6-7,9,11H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyWIBMSCLIEGVYKE-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.43
Rot. Bonds8

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

2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide (PubChem CID 81083183) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide
PubChem CID81083183
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)C(N)CCCOC
InChIInChI=1S/C14H21ClN2O3/c1-3-20-13-7-6-10(15)9-12(13)17-14(18)11(16)5-4-8-19-2/h6-7,9,11H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyWIBMSCLIEGVYKE-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
CID 54862650
methyl 2-[(2-amino-5-methoxypentanoyl)amino]-4-chlorobenzoate
CID 81084917
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide
CID 119317523
2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119317522
N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
CID 112685938
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methoxypentanamide
CID 81084287
(2S)-2-amino-N-(5-chloro-2-propoxyphenyl)-4-methylsulfanylbutanamide
CID 61180506
2-amino-N-(4-ethoxy-2-methylphenyl)-5-methoxypentanamide
CID 81082492
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070
2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide
CID 81089395

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide (CID 81083183) is 2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide is CCOc1ccc(Cl)cc1NC(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide?
The InChIKey is WIBMSCLIEGVYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-3-20-13-7-6-10(15)9-12(13)17-14(18)11(16)5-4-8-19-2/h6-7,9,11H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide?
2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide has a molecular weight of 300.79 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-ethoxyphenyl)-5-methoxypentanamide is sourced from PubChem (CID 81083183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).