2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride

C18H31ClN2O2 — CID 119792652

IUPAC2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(O)c1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-6-12(2)16(19)17(22)20-11-15(21)13-7-9-14(10-8-13)18(3,4)5;/h7-10,12,15-16,21H,6,11,19H2,1-5H3,(H,20,22);1H
InChIKeyHRAHXVBGZQCDHF-UHFFFAOYSA-N
MW342.91 g/mol
LogP2.93
Rot. Bonds6

About 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride

2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride (PubChem CID 119792652) has the molecular formula C18H31ClN2O2 and a molecular weight of 342.91 g/mol. Its IUPAC name is 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
PubChem CID119792652
Molecular FormulaC18H31ClN2O2
Molecular Weight342.91 g/mol
Exact Mass342.21
IUPAC Name2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(O)c1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-6-12(2)16(19)17(22)20-11-15(21)13-7-9-14(10-8-13)18(3,4)5;/h7-10,12,15-16,21H,6,11,19H2,1-5H3,(H,20,22);1H
InChIKeyHRAHXVBGZQCDHF-UHFFFAOYSA-N
XLogP2.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
CID 119719440
2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride
CID 119328661
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
CID 119792655
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide
CID 119328654
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119328649
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119328673
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride (CID 119792652) is 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCC(O)c1ccc(C(C)(C)C)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride?
The InChIKey is HRAHXVBGZQCDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2.ClH/c1-6-12(2)16(19)17(22)20-11-15(21)13-7-9-14(10-8-13)18(3,4)5;/h7-10,12,15-16,21H,6,11,19H2,1-5H3,(H,20,22);1H.
What are the key properties of 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119792652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).