4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C19H26N2O3 — CID 122023627

IUPAC4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(C)CN(C(=O)NC2CCC(C(=O)O)CC2)Cc2ccccc21
InChIInChI=1S/C19H26N2O3/c1-19(2)12-21(11-14-5-3-4-6-16(14)19)18(24)20-15-9-7-13(8-10-15)17(22)23/h3-6,13,15H,7-12H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyDLZVWQVDSQEDGX-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.13
Rot. Bonds2

About 4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122023627) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122023627
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(C)CN(C(=O)NC2CCC(C(=O)O)CC2)Cc2ccccc21
InChIInChI=1S/C19H26N2O3/c1-19(2)12-21(11-14-5-3-4-6-16(14)19)18(24)20-15-9-7-13(8-10-15)17(22)23/h3-6,13,15H,7-12H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyDLZVWQVDSQEDGX-UHFFFAOYSA-N
XLogP3.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 122024905
4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024164
4-[(4-benzyl-3,3-dimethylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024819
4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122007144
N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide
CID 162731126
4-[(5-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024527
iodo 4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate
CID 143581392
N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide
CID 110670006
2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one
CID 83626790
1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-3-hydroxypropan-1-one
CID 142480222
4-[[4-(3-chlorophenyl)-4-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024099
4-[(7-acetyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023616

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 122023627) is 4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1(C)CN(C(=O)NC2CCC(C(=O)O)CC2)Cc2ccccc21.
What is the InChIKey of 4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DLZVWQVDSQEDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(2)12-21(11-14-5-3-4-6-16(14)19)18(24)20-15-9-7-13(8-10-15)17(22)23/h3-6,13,15H,7-12H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).