N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride

C16H24ClN3O2 — CID 119611319

IUPACN-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H23N3O2.ClH/c17-10-13-8-4-5-9-14(13)19-15(20)11-18-16(21)12-6-2-1-3-7-12;/h1-3,6-7,13-14H,4-5,8-11,17H2,(H,18,21)(H,19,20);1H
InChIKeyDDWXKKIGBIBMPZ-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.47
Rot. Bonds5

About N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride

N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 119611319) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
PubChem CID119611319
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H23N3O2.ClH/c17-10-13-8-4-5-9-14(13)19-15(20)11-18-16(21)12-6-2-1-3-7-12;/h1-3,6-7,13-14H,4-5,8-11,17H2,(H,18,21)(H,19,20);1H
InChIKeyDDWXKKIGBIBMPZ-UHFFFAOYSA-N
XLogP1.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide
CID 110158776
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
CID 119609450
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-[2-(aminomethyl)cyclopentyl]-2-phenoxyacetamide;hydrochloride
CID 119601101
N-[4-[[2-(aminomethyl)cyclohexyl]amino]-4-oxobutyl]-4-fluorobenzamide
CID 119609996
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride (CID 119611319) is N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is DDWXKKIGBIBMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c17-10-13-8-4-5-9-14(13)19-15(20)11-18-16(21)12-6-2-1-3-7-12;/h1-3,6-7,13-14H,4-5,8-11,17H2,(H,18,21)(H,19,20);1H.
What are the key properties of N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride?
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 119611319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).