4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride

C17H29ClN2O2 — CID 120563845

IUPAC4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
SMILESCC(C)COc1ccc(C(C)NC(=O)CCC(C)N)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-12(2)11-21-16-8-6-15(7-9-16)14(4)19-17(20)10-5-13(3)18;/h6-9,12-14H,5,10-11,18H2,1-4H3,(H,19,20);1H
InChIKeyZUAGCHOOSQIDMT-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.45
Rot. Bonds8

About 4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride

4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride (PubChem CID 120563845) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
PubChem CID120563845
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
SMILESCC(C)COc1ccc(C(C)NC(=O)CCC(C)N)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-12(2)11-21-16-8-6-15(7-9-16)14(4)19-17(20)10-5-13(3)18;/h6-9,12-14H,5,10-11,18H2,1-4H3,(H,19,20);1H
InChIKeyZUAGCHOOSQIDMT-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119815204
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119815236
(2S)-2-amino-3,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide
CID 119815221
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]acetamide
CID 119311263
4-amino-N-[1-(3,5-dimethylphenyl)ethyl]pentanamide
CID 120562455
4-[[(2S)-2-aminopropanoyl]amino]-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 119345046
N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119496509
2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119047772
(3R)-3-amino-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 776432
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride (CID 120563845) is 4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride is CC(C)COc1ccc(C(C)NC(=O)CCC(C)N)cc1.Cl.
What is the InChIKey of 4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride?
The InChIKey is ZUAGCHOOSQIDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-12(2)11-21-16-8-6-15(7-9-16)14(4)19-17(20)10-5-13(3)18;/h6-9,12-14H,5,10-11,18H2,1-4H3,(H,19,20);1H.
What are the key properties of 4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride?
4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 120563845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).