N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride

C19H30ClN3O2 — CID 119711987

IUPACN-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14-13-15(19(24)21-16-7-4-3-5-8-16)10-11-17(14)22-18(23)9-6-12-20-2;/h10-11,13,16,20H,3-9,12H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyFCZTZTOOBPSPCB-UHFFFAOYSA-N
MW367.92 g/mol
LogP3.42
Rot. Bonds7

About N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride

N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride (PubChem CID 119711987) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
PubChem CID119711987
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14-13-15(19(24)21-16-7-4-3-5-8-16)10-11-17(14)22-18(23)9-6-12-20-2;/h10-11,13,16,20H,3-9,12H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyFCZTZTOOBPSPCB-UHFFFAOYSA-N
XLogP3.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119747154
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide
CID 55878660
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
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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
The IUPAC name of N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride (CID 119711987) is N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride is CNCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1C.Cl.
What is the InChIKey of N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
The InChIKey is FCZTZTOOBPSPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-14-13-15(19(24)21-16-7-4-3-5-8-16)10-11-17(14)22-18(23)9-6-12-20-2;/h10-11,13,16,20H,3-9,12H2,1-2H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride is sourced from PubChem (CID 119711987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).