N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C24H36ClN3O2 — CID 44667822

IUPACN-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCCC1)C1CCC(CNC(=O)C2Cc3ccccc3CN2)CC1
InChIInChI=1S/C24H35N3O2.ClH/c28-23(27-21-8-2-1-3-9-21)18-12-10-17(11-13-18)15-26-24(29)22-14-19-6-4-5-7-20(19)16-25-22;/h4-7,17-18,21-22,25H,1-3,8-16H2,(H,26,29)(H,27,28);1H
InChIKeyKQERGZOBBJORAC-UHFFFAOYSA-N
MW434.02 g/mol
LogP3.49
Rot. Bonds5

About N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 44667822) has the molecular formula C24H36ClN3O2 and a molecular weight of 434.02 g/mol. Its IUPAC name is N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID44667822
Molecular FormulaC24H36ClN3O2
Molecular Weight434.02 g/mol
Exact Mass433.25
IUPAC NameN-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCCC1)C1CCC(CNC(=O)C2Cc3ccccc3CN2)CC1
InChIInChI=1S/C24H35N3O2.ClH/c28-23(27-21-8-2-1-3-9-21)18-12-10-17(11-13-18)15-26-24(29)22-14-19-6-4-5-7-20(19)16-25-22;/h4-7,17-18,21-22,25H,1-3,8-16H2,(H,26,29)(H,27,28);1H
InChIKeyKQERGZOBBJORAC-UHFFFAOYSA-N
XLogP3.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.02
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(thian-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 115733933
N-[[4-(furan-2-ylmethylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4904028
N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidine-4-carboxamide
CID 40870441
(3R)-N-[[4-[(2,4-dimethylphenyl)carbamoyl]cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 26909822
N-(2-cyclopropylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119039078
(3S)-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44667214
(3R)-N-[[4-[(3-methoxyphenyl)carbamoyl]cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 51645949
N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4975415
(3S)-N-[(1-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896407
(3S)-N-[(2R,3R)-1-(cyclohexylamino)-3-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 26909904
(3S)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896399
N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119307301

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 44667822) is N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is Cl.O=C(NC1CCCCC1)C1CCC(CNC(=O)C2Cc3ccccc3CN2)CC1.
What is the InChIKey of N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is KQERGZOBBJORAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2.ClH/c28-23(27-21-8-2-1-3-9-21)18-12-10-17(11-13-18)15-26-24(29)22-14-19-6-4-5-7-20(19)16-25-22;/h4-7,17-18,21-22,25H,1-3,8-16H2,(H,26,29)(H,27,28);1H.
What are the key properties of N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 434.02 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexylcarbamoyl)cyclohexyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 44667822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).