N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride

C18H29ClN2O2 — CID 119565114

IUPACN-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
SMILESCOc1ccccc1CC(C)CC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-14(11-15-7-3-4-8-16(15)22-2)12-17(21)20-18(13-19)9-5-6-10-18;/h3-4,7-8,14H,5-6,9-13,19H2,1-2H3,(H,20,21);1H
InChIKeyUGFBWNLRJSBHBN-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.07
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride (PubChem CID 119565114) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
PubChem CID119565114
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
SMILESCOc1ccccc1CC(C)CC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-14(11-15-7-3-4-8-16(15)22-2)12-17(21)20-18(13-19)9-5-6-10-18;/h3-4,7-8,14H,5-6,9-13,19H2,1-2H3,(H,20,21);1H
InChIKeyUGFBWNLRJSBHBN-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide
CID 120504695
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
CID 119565773
N-[1-(aminomethyl)cyclopentyl]-2-(2-methoxyanilino)acetamide
CID 119565547
N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119567108
N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119474759
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide
CID 119474760
[2-(cyclohexylamino)-2-oxoethyl] 4-(2-methoxyphenyl)-3-methylbutanoate
CID 86899049
4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449852
N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119567384
3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide
CID 119566114
1-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65105268

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride (CID 119565114) is N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride is COc1ccccc1CC(C)CC(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride?
The InChIKey is UGFBWNLRJSBHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-14(11-15-7-3-4-8-16(15)22-2)12-17(21)20-18(13-19)9-5-6-10-18;/h3-4,7-8,14H,5-6,9-13,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119565114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).