2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide

C17H28N2O3 — CID 119792571

IUPAC2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC(O)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H28N2O3/c1-5-9-17(4,18)16(21)19-11-15(20)13-7-6-8-14(10-13)22-12(2)3/h6-8,10,12,15,20H,5,9,11,18H2,1-4H3,(H,19,21)
InChIKeyURFXCEVCQGSBPM-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.14
Rot. Bonds8

About 2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide

2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide (PubChem CID 119792571) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide
PubChem CID119792571
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC(O)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H28N2O3/c1-5-9-17(4,18)16(21)19-11-15(20)13-7-6-8-14(10-13)22-12(2)3/h6-8,10,12,15,20H,5,9,11,18H2,1-4H3,(H,19,21)
InChIKeyURFXCEVCQGSBPM-UHFFFAOYSA-N
XLogP2.14
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119792716
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide
CID 119804958
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119804957
2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride
CID 119804565
1-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792524
4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 119328600
2-amino-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 60847702
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111423771
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119328584
2-amino-N-(2,3-diphenylpropyl)-2-methylpentanamide
CID 119803980

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide (CID 119792571) is 2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCC(O)c1cccc(OC(C)C)c1.
What is the InChIKey of 2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide?
The InChIKey is URFXCEVCQGSBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-9-17(4,18)16(21)19-11-15(20)13-7-6-8-14(10-13)22-12(2)3/h6-8,10,12,15,20H,5,9,11,18H2,1-4H3,(H,19,21).
What are the key properties of 2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide?
2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide has a molecular weight of 308.42 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 119792571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).