N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride

C18H29ClN2O4 — CID 119565765

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1cc(CCC(=O)NC2(CN)CCCC2)cc(OC)c1OC.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-22-14-10-13(11-15(23-2)17(14)24-3)6-7-16(21)20-18(12-19)8-4-5-9-18;/h10-11H,4-9,12,19H2,1-3H3,(H,20,21);1H
InChIKeyNGVUPXWEUWBRII-UHFFFAOYSA-N
MW372.89 g/mol
LogP2.45
Rot. Bonds8

About N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride (PubChem CID 119565765) has the molecular formula C18H29ClN2O4 and a molecular weight of 372.89 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
PubChem CID119565765
Molecular FormulaC18H29ClN2O4
Molecular Weight372.89 g/mol
Exact Mass372.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1cc(CCC(=O)NC2(CN)CCCC2)cc(OC)c1OC.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-22-14-10-13(11-15(23-2)17(14)24-3)6-7-16(21)20-18(12-19)8-4-5-9-18;/h10-11H,4-9,12,19H2,1-3H3,(H,20,21);1H
InChIKeyNGVUPXWEUWBRII-UHFFFAOYSA-N
XLogP2.45
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide
CID 119566013
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
CID 119565773
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119565360
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 119567445
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide
CID 119568346
N-[1-(aminomethyl)cyclopentyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119567229
N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 119522297
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 119567446
N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119430660
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride (CID 119565765) is N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride is COc1cc(CCC(=O)NC2(CN)CCCC2)cc(OC)c1OC.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
The InChIKey is NGVUPXWEUWBRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4.ClH/c1-22-14-10-13(11-15(23-2)17(14)24-3)6-7-16(21)20-18(12-19)8-4-5-9-18;/h10-11H,4-9,12,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride has a molecular weight of 372.89 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119565765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).