N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride

C16H24ClN3O2 — CID 119384153

IUPACN-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C16H23N3O2.ClH/c17-9-10-18-15(20)14-7-5-12(6-8-14)11-19-16(21)13-3-1-2-4-13;/h5-8,13H,1-4,9-11,17H2,(H,18,20)(H,19,21);1H
InChIKeyODESDFNEEHBGCE-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.60
Rot. Bonds6

About N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride

N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride (PubChem CID 119384153) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
PubChem CID119384153
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C16H23N3O2.ClH/c17-9-10-18-15(20)14-7-5-12(6-8-14)11-19-16(21)13-3-1-2-4-13;/h5-8,13H,1-4,9-11,17H2,(H,18,20)(H,19,21);1H
InChIKeyODESDFNEEHBGCE-UHFFFAOYSA-N
XLogP1.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119497751
3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid
CID 119236774
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
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
4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557704
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride
CID 119655210
N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063337
N-benzylcyclopentanecarboxamide
CID 835634

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride (CID 119384153) is N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride is Cl.NCCNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride?
The InChIKey is ODESDFNEEHBGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c17-9-10-18-15(20)14-7-5-12(6-8-14)11-19-16(21)13-3-1-2-4-13;/h5-8,13H,1-4,9-11,17H2,(H,18,20)(H,19,21);1H.
What are the key properties of N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride?
N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119384153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).