2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride

C14H22Cl2N2O3 — CID 119298223

IUPAC2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(OCCOC)c(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2O3.ClH/c1-3-4-12(16)14(18)17-10-5-6-13(11(15)9-10)20-8-7-19-2;/h5-6,9,12H,3-4,7-8,16H2,1-2H3,(H,17,18);1H
InChIKeyKSHLYVYNTRWHFT-UHFFFAOYSA-N
MW337.25 g/mol
LogP2.85
Rot. Bonds8

About 2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride

2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride (PubChem CID 119298223) has the molecular formula C14H22Cl2N2O3 and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
PubChem CID119298223
Molecular FormulaC14H22Cl2N2O3
Molecular Weight337.25 g/mol
Exact Mass336.10
IUPAC Name2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(OCCOC)c(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2O3.ClH/c1-3-4-12(16)14(18)17-10-5-6-13(11(15)9-10)20-8-7-19-2;/h5-6,9,12H,3-4,7-8,16H2,1-2H3,(H,17,18);1H
InChIKeyKSHLYVYNTRWHFT-UHFFFAOYSA-N
XLogP2.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 52.85
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-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
CID 119302610
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
2-amino-N-[4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119289402
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
CID 107568802
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026
2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide
CID 54862584
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
CID 103830934
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide
CID 48500260

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride (CID 119298223) is 2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(OCCOC)c(Cl)c1.Cl.
What is the InChIKey of 2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride?
The InChIKey is KSHLYVYNTRWHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3.ClH/c1-3-4-12(16)14(18)17-10-5-6-13(11(15)9-10)20-8-7-19-2;/h5-6,9,12H,3-4,7-8,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride?
2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride has a molecular weight of 337.25 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119298223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).