N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide

C18H25N3O3 — CID 119478775

IUPACN-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESNC1CCC(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)CC1
InChIInChI=1S/C18H25N3O3/c19-13-6-8-14(9-7-13)20-17(22)12-3-1-4-15(11-12)21-18(23)16-5-2-10-24-16/h1,3-4,11,13-14,16H,2,5-10,19H2,(H,20,22)(H,21,23)
InChIKeyXSDTVOVIKBTMBL-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.80
Rot. Bonds4

About N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 119478775) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID119478775
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESNC1CCC(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)CC1
InChIInChI=1S/C18H25N3O3/c19-13-6-8-14(9-7-13)20-17(22)12-3-1-4-15(11-12)21-18(23)16-5-2-10-24-16/h1,3-4,11,13-14,16H,2,5-10,19H2,(H,20,22)(H,21,23)
InChIKeyXSDTVOVIKBTMBL-UHFFFAOYSA-N
XLogP1.80
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94149541
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
(2S)-N-[3-[(2-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 31700256

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 119478775) is N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide is NC1CCC(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)CC1.
What is the InChIKey of N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is XSDTVOVIKBTMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-13-6-8-14(9-7-13)20-17(22)12-3-1-4-15(11-12)21-18(23)16-5-2-10-24-16/h1,3-4,11,13-14,16H,2,5-10,19H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 119478775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).