N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride

C23H30ClN3O3 — CID 119527172

IUPACN-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cccc(NC(=O)C3CCCO3)c2)cc1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-15(2)16-8-10-17(11-9-16)20(24)14-25-22(27)18-5-3-6-19(13-18)26-23(28)21-7-4-12-29-21;/h3,5-6,8-11,13,15,20-21H,4,7,12,14,24H2,1-2H3,(H,25,27)(H,26,28);1H
InChIKeyJKAHKECLDIGKTG-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.78
Rot. Bonds7

About N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride

N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 119527172) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID119527172
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC NameN-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cccc(NC(=O)C3CCCO3)c2)cc1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-15(2)16-8-10-17(11-9-16)20(24)14-25-22(27)18-5-3-6-19(13-18)26-23(28)21-7-4-12-29-21;/h3,5-6,8-11,13,15,20-21H,4,7,12,14,24H2,1-2H3,(H,25,27)(H,26,28);1H
InChIKeyJKAHKECLDIGKTG-UHFFFAOYSA-N
XLogP3.78
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride 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-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119643641
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
(2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 51953886
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119661064
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55948043
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
(2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 39991424
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride (CID 119527172) is N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride is CC(C)c1ccc(C(N)CNC(=O)c2cccc(NC(=O)C3CCCO3)c2)cc1.Cl.
What is the InChIKey of N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is JKAHKECLDIGKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.ClH/c1-15(2)16-8-10-17(11-9-16)20(24)14-25-22(27)18-5-3-6-19(13-18)26-23(28)21-7-4-12-29-21;/h3,5-6,8-11,13,15,20-21H,4,7,12,14,24H2,1-2H3,(H,25,27)(H,26,28);1H.
What are the key properties of N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride?
N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 431.96 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119527172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).