2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride

C20H27ClN2O2 — CID 119306590

IUPAC2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cccc(COCCc2ccccc2)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-2-7-19(21)20(23)22-18-11-6-10-17(14-18)15-24-13-12-16-8-4-3-5-9-16;/h3-6,8-11,14,19H,2,7,12-13,15,21H2,1H3,(H,22,23);1H
InChIKeyQVLOCXQRAYHSDK-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.93
Rot. Bonds9

About 2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride

2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride (PubChem CID 119306590) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride
PubChem CID119306590
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cccc(COCCc2ccccc2)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-2-7-19(21)20(23)22-18-11-6-10-17(14-18)15-24-13-12-16-8-4-3-5-9-16;/h3-6,8-11,14,19H,2,7,12-13,15,21H2,1H3,(H,22,23);1H
InChIKeyQVLOCXQRAYHSDK-UHFFFAOYSA-N
XLogP3.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.93
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

(2S)-2-amino-4-methylsulfanyl-N-[3-(2-phenylethoxymethyl)phenyl]butanamide
CID 119306583
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide
CID 114927368
2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide
CID 120790252
(2S)-2-amino-N-[3-(2-butoxyethoxymethyl)phenyl]propanamide;hydrochloride
CID 119306540
2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide
CID 119343981
2-amino-3-methoxy-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]propanamide;hydrochloride
CID 120987747
2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538
1-amino-N-[3-(2-phenylethoxymethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119754394
(2S)-2-amino-4-methylsulfanyl-N-[3-(3-phenylpropyl)phenyl]butanamide;hydrochloride
CID 119316029

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride (CID 119306590) is 2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride is CCCC(N)C(=O)Nc1cccc(COCCc2ccccc2)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride?
The InChIKey is QVLOCXQRAYHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-2-7-19(21)20(23)22-18-11-6-10-17(14-18)15-24-13-12-16-8-4-3-5-9-16;/h3-6,8-11,14,19H,2,7,12-13,15,21H2,1H3,(H,22,23);1H.
What are the key properties of 2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride?
2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119306590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).