2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride

C16H27ClN2O2 — CID 119304384

IUPAC2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC(C)COCc1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-7-15(17)16(19)18-10-13(2)11-20-12-14-8-5-4-6-9-14;/h4-6,8-9,13,15H,3,7,10-12,17H2,1-2H3,(H,18,19);1H
InChIKeyAEZKPXNEARAUDC-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.50
Rot. Bonds9

About 2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride

2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride (PubChem CID 119304384) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride
PubChem CID119304384
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCC(C)COCc1ccccc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-7-15(17)16(19)18-10-13(2)11-20-12-14-8-5-4-6-9-14;/h4-6,8-9,13,15H,3,7,10-12,17H2,1-2H3,(H,18,19);1H
InChIKeyAEZKPXNEARAUDC-UHFFFAOYSA-N
XLogP2.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-phenylmethoxypropan-2-yl)pentanamide;hydrochloride
CID 119335294
3-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)-3-phenylpropanamide;hydrochloride
CID 119750650
2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride
CID 119750664
(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide
CID 131854794
2-amino-N-benzylpentanamide
CID 11020044
2-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)acetamide
CID 119750653
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
4-[(2-amino-4-phenylbutanoyl)amino]-3-methylbutanoic acid
CID 114929069
2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
CID 143126670
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride (CID 119304384) is 2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride is CCCC(N)C(=O)NCC(C)COCc1ccccc1.Cl.
What is the InChIKey of 2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride?
The InChIKey is AEZKPXNEARAUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-3-7-15(17)16(19)18-10-13(2)11-20-12-14-8-5-4-6-9-14;/h4-6,8-9,13,15H,3,7,10-12,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride?
2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride is sourced from PubChem (CID 119304384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).