N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride

C17H29ClN2O — CID 119643360

IUPACN-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride
SMILESCCC(CC(=O)NCC(N)(CC)CC)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-14(15-10-8-7-9-11-15)12-16(20)19-13-17(18,5-2)6-3;/h7-11,14H,4-6,12-13,18H2,1-3H3,(H,19,20);1H
InChIKeyCQFNELDDKZRPLI-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.63
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride (PubChem CID 119643360) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride
PubChem CID119643360
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC NameN-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride
SMILESCCC(CC(=O)NCC(N)(CC)CC)c1ccccc1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-14(15-10-8-7-9-11-15)12-16(20)19-13-17(18,5-2)6-3;/h7-11,14H,4-6,12-13,18H2,1-3H3,(H,19,20);1H
InChIKeyCQFNELDDKZRPLI-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide
CID 111483351
N-(2-hydroxy-2,3-dimethylbutyl)-3-phenylpentanamide
CID 111484060
N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119641244
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119640789
2-methyl-3-(3-phenylpentanoylamino)propanoic acid
CID 119237250
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
(2S)-2-(3-phenylpentanoylamino)propanoic acid
CID 119238309
ethane;3-phenylpentanoic acid
CID 142147200
N-[(1-oxidopyridin-1-ium-3-yl)methyl]-3-phenylpentanamide
CID 138013947
2,2-dimethyl-5-phenylheptan-3-one
CID 15091945

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride (CID 119643360) is N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride is CCC(CC(=O)NCC(N)(CC)CC)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride?
The InChIKey is CQFNELDDKZRPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-4-14(15-10-8-7-9-11-15)12-16(20)19-13-17(18,5-2)6-3;/h7-11,14H,4-6,12-13,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride has a molecular weight of 312.88 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride is sourced from PubChem (CID 119643360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).