4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride

C16H24ClN3O2 — CID 119283092

IUPAC4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CN.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11-9-12(7-8-14(11)19-15(20)10-17)16(21)18-13-5-3-2-4-6-13;/h7-9,13H,2-6,10,17H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyUUMIDZDQTDOHEK-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.38
Rot. Bonds4

About 4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride

4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride (PubChem CID 119283092) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
PubChem CID119283092
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CN.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11-9-12(7-8-14(11)19-15(20)10-17)16(21)18-13-5-3-2-4-6-13;/h7-9,13H,2-6,10,17H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyUUMIDZDQTDOHEK-UHFFFAOYSA-N
XLogP2.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
methyl N-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-methylcarbamate
CID 51121340
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide
CID 51121339
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 55917998
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
4-(2-aminopentanoylamino)-N-cyclopentyl-3-methylbenzamide
CID 119305974

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride?
The IUPAC name of 4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride (CID 119283092) is 4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride?
The canonical SMILES for 4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride is Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CN.Cl.
What is the InChIKey of 4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride?
The InChIKey is UUMIDZDQTDOHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-11-9-12(7-8-14(11)19-15(20)10-17)16(21)18-13-5-3-2-4-6-13;/h7-9,13H,2-6,10,17H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of 4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride?
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride is sourced from PubChem (CID 119283092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).