N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide

C16H22N2O3 — CID 3242998

IUPACN-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H22N2O3/c1-3-11(2)17-15(19)12-6-8-13(9-7-12)18-16(20)14-5-4-10-21-14/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNAVDTZGOCSLASV-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.33
Rot. Bonds5

About N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide

N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 3242998) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
PubChem CID3242998
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H22N2O3/c1-3-11(2)17-15(19)12-6-8-13(9-7-12)18-16(20)14-5-4-10-21-14/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNAVDTZGOCSLASV-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(butan-2-ylcarbamoyl)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

1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-[4-(butan-2-ylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 3155135
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55948043
N-(4-ethylsulfanylphenyl)oxolane-2-carboxamide
CID 110778617
N-[4-(butan-2-ylcarbamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 86830268
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-[4-[2-(4-methylpiperidin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 3238521
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide (CID 3242998) is N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide is CCC(C)NC(=O)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is NAVDTZGOCSLASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-11(2)17-15(19)12-6-8-13(9-7-12)18-16(20)14-5-4-10-21-14/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide?
N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3242998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).