4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride

C18H29ClN2O2 — CID 119339941

IUPAC4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride
SMILESCCOCCC1(CNC(=O)c2ccc(CN)cc2)CCCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-2-22-12-11-18(9-3-4-10-18)14-20-17(21)16-7-5-15(13-19)6-8-16;/h5-8H,2-4,9-14,19H2,1H3,(H,20,21);1H
InChIKeyMNLYXOLRLSWEEE-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.28
Rot. Bonds8

About 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride

4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride (PubChem CID 119339941) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride
PubChem CID119339941
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride
SMILESCCOCCC1(CNC(=O)c2ccc(CN)cc2)CCCC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-2-22-12-11-18(9-3-4-10-18)14-20-17(21)16-7-5-15(13-19)6-8-16;/h5-8H,2-4,9-14,19H2,1H3,(H,20,21);1H
InChIKeyMNLYXOLRLSWEEE-UHFFFAOYSA-N
XLogP3.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.28
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

4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
CID 119345529
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119820293
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide
CID 119344511
4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
CID 119812226
3-[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]methyl]benzoic acid
CID 122031882
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120936241
2-(2-aminoethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638800
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80736770
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
CID 119323029

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride (CID 119339941) is 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride is CCOCCC1(CNC(=O)c2ccc(CN)cc2)CCCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride?
The InChIKey is MNLYXOLRLSWEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-2-22-12-11-18(9-3-4-10-18)14-20-17(21)16-7-5-15(13-19)6-8-16;/h5-8H,2-4,9-14,19H2,1H3,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119339941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).