N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide

C19H27N3O4 — CID 55948043

IUPACN-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C19H27N3O4/c1-3-13(2)21-17(23)9-10-20-18(24)14-6-4-7-15(12-14)22-19(25)16-8-5-11-26-16/h4,6-7,12-13,16H,3,5,8-11H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyYKLKXCHKGSKNGK-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.84
Rot. Bonds8

About N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 55948043) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID55948043
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C19H27N3O4/c1-3-13(2)21-17(23)9-10-20-18(24)14-6-4-7-15(12-14)22-19(25)16-8-5-11-26-16/h4,6-7,12-13,16H,3,5,8-11H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyYKLKXCHKGSKNGK-UHFFFAOYSA-N
XLogP1.84
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide 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-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119643641
N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 3242998
N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46442303
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444
(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94149541
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119527172

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 55948043) is N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide is CCC(C)NC(=O)CCNC(=O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is YKLKXCHKGSKNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-3-13(2)21-17(23)9-10-20-18(24)14-6-4-7-15(12-14)22-19(25)16-8-5-11-26-16/h4,6-7,12-13,16H,3,5,8-11H2,1-2H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55948043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).