N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride

C14H23ClN2O2 — CID 119405627

IUPACN-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
SMILESCC(C)Oc1cccc(CC(=O)NCCCN)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11(2)18-13-6-3-5-12(9-13)10-14(17)16-8-4-7-15;/h3,5-6,9,11H,4,7-8,10,15H2,1-2H3,(H,16,17);1H
InChIKeyUZCVNMBWKCJPHY-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.90
Rot. Bonds7

About N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride

N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride (PubChem CID 119405627) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
PubChem CID119405627
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
SMILESCC(C)Oc1cccc(CC(=O)NCCCN)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11(2)18-13-6-3-5-12(9-13)10-14(17)16-8-4-7-15;/h3,5-6,9,11H,4,7-8,10,15H2,1-2H3,(H,16,17);1H
InChIKeyUZCVNMBWKCJPHY-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119234678
N-(2-amino-2-methylpropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119626689
N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride
CID 119405187
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119606176
N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide
CID 119405733
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide
CID 106130409
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53283832
N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 120648333
N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
CID 114504420

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride (CID 119405627) is N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride is CC(C)Oc1cccc(CC(=O)NCCCN)c1.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride?
The InChIKey is UZCVNMBWKCJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-11(2)18-13-6-3-5-12(9-13)10-14(17)16-8-4-7-15;/h3,5-6,9,11H,4,7-8,10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride?
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119405627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).