3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride

C14H23ClN2O2 — CID 119285649

IUPAC3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
SMILESCC(C)Oc1ccc(C(C)NC(=O)CCN)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-10(2)18-13-6-4-12(5-7-13)11(3)16-14(17)8-9-15;/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17);1H
InChIKeyOMOPXAMJHMOKHB-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.42
Rot. Bonds6

About 3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride

3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119285649) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID119285649
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
SMILESCC(C)Oc1ccc(C(C)NC(=O)CCN)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-10(2)18-13-6-4-12(5-7-13)11(3)16-14(17)8-9-15;/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17);1H
InChIKeyOMOPXAMJHMOKHB-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-oxo-2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]acetamide
CID 60846458
4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
CID 134045511
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide;hydrochloride
CID 119285670
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81368822
3-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317323
3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 55580848

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride (CID 119285649) is 3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride is CC(C)Oc1ccc(C(C)NC(=O)CCN)cc1.Cl.
What is the InChIKey of 3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is OMOPXAMJHMOKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-10(2)18-13-6-4-12(5-7-13)11(3)16-14(17)8-9-15;/h4-7,10-11H,8-9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride?
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119285649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).