cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid

C23H33N3O2 — CID 71147510

IUPACcyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid
SMILESC1CCCCC1.CC(C)NCc1ccccc1N(Cc1cccnc1)C(=O)O
InChIInChI=1S/C17H21N3O2.C6H12/c1-13(2)19-11-15-7-3-4-8-16(15)20(17(21)22)12-14-6-5-9-18-10-14;1-2-4-6-5-3-1/h3-10,13,19H,11-12H2,1-2H3,(H,21,22);1-6H2
InChIKeyVWRCFSOGQOKODO-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.60
Rot. Bonds6

About cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid

cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid (PubChem CID 71147510) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid.

Molecular Properties

Compound Namecyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid
PubChem CID71147510
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Namecyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid
SMILESC1CCCCC1.CC(C)NCc1ccccc1N(Cc1cccnc1)C(=O)O
InChIInChI=1S/C17H21N3O2.C6H12/c1-13(2)19-11-15-7-3-4-8-16(15)20(17(21)22)12-14-6-5-9-18-10-14;1-2-4-6-5-3-1/h3-10,13,19H,11-12H2,1-2H3,(H,21,22);1-6H2
InChIKeyVWRCFSOGQOKODO-UHFFFAOYSA-N
XLogP5.60
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563622
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
CID 133148944
3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea
CID 110426401
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110613046
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea
CID 21487121
N-[[2-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431962
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149053

Frequently Asked Questions

What is the IUPAC name of cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid?
The IUPAC name of cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid (CID 71147510) is cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid.
What is the SMILES notation for cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid?
The canonical SMILES for cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid is C1CCCCC1.CC(C)NCc1ccccc1N(Cc1cccnc1)C(=O)O.
What is the InChIKey of cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid?
The InChIKey is VWRCFSOGQOKODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.C6H12/c1-13(2)19-11-15-7-3-4-8-16(15)20(17(21)22)12-14-6-5-9-18-10-14;1-2-4-6-5-3-1/h3-10,13,19H,11-12H2,1-2H3,(H,21,22);1-6H2.
What are the key properties of cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid?
cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid has a molecular weight of 383.54 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid is sourced from PubChem (CID 71147510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).