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

C16H27ClN2O2 — CID 119328673

IUPAC4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)CCCN)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-16(2,3)13-8-6-12(7-9-13)14(19)11-18-15(20)5-4-10-17;/h6-9,14,19H,4-5,10-11,17H2,1-3H3,(H,18,20);1H
InChIKeyRNHPUJUQLOLZEL-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.29
Rot. Bonds6

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

4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride (PubChem CID 119328673) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride
PubChem CID119328673
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)CCCN)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-16(2,3)13-8-6-12(7-9-13)14(19)11-18-15(20)5-4-10-17;/h6-9,14,19H,4-5,10-11,17H2,1-3H3,(H,18,20);1H
InChIKeyRNHPUJUQLOLZEL-UHFFFAOYSA-N
XLogP2.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119328649
4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119293246
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
CID 119792655
7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide
CID 119730561
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide
CID 97227838
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305
1-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119792619
2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride
CID 119328661
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
CID 119792652
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride (CID 119328673) is 4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride is CC(C)(C)c1ccc(C(O)CNC(=O)CCCN)cc1.Cl.
What is the InChIKey of 4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride?
The InChIKey is RNHPUJUQLOLZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-16(2,3)13-8-6-12(7-9-13)14(19)11-18-15(20)5-4-10-17;/h6-9,14,19H,4-5,10-11,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride?
4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride is sourced from PubChem (CID 119328673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).