N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride

C18H28ClN3O2 — CID 119497751

IUPACN-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-13(19)10-11-20-17(22)16-8-6-14(7-9-16)12-21-18(23)15-4-2-3-5-15;/h6-9,13,15H,2-5,10-12,19H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyDFVMDGFJDRNZHD-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.38
Rot. Bonds7

About N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride

N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride (PubChem CID 119497751) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
PubChem CID119497751
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-13(19)10-11-20-17(22)16-8-6-14(7-9-16)12-21-18(23)15-4-2-3-5-15;/h6-9,13,15H,2-5,10-12,19H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyDFVMDGFJDRNZHD-UHFFFAOYSA-N
XLogP2.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153
3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid
CID 119236774
N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide
CID 51082846
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452392
N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119574500
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
N-benzylcyclopentanecarboxamide
CID 835634
4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557704
1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148148
N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride
CID 119655210

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride (CID 119497751) is N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride is CC(N)CCNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride?
The InChIKey is DFVMDGFJDRNZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-13(19)10-11-20-17(22)16-8-6-14(7-9-16)12-21-18(23)15-4-2-3-5-15;/h6-9,13,15H,2-5,10-12,19H2,1H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride?
N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119497751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).