N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide

C16H22N2O3 — CID 3244920

IUPACN-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESCCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-3-10-17-15(19)12-6-8-13(9-7-12)18-16(20)14-5-4-11-21-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyQCHOXPUMBJNJHF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.33
Rot. Bonds6

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

N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 3244920) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide
PubChem CID3244920
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESCCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-3-10-17-15(19)12-6-8-13(9-7-12)18-16(20)14-5-4-11-21-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyQCHOXPUMBJNJHF-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 4916601
N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
CID 2212314
4-[(2,6-Dimethylmorpholin-4-yl)carbonyl]aniline
CID 577562
L-Glutamic acid, N-(4-(methylamino)benzoyl)-, 1,5-diethyl ester
CID 75413
4-acetamido-N-(3-methoxypropyl)benzamide
CID 2096192
4-(acetylamino)-N-(3-isopropoxypropyl)benzamide
CID 2228400
[2-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
3-nitro-N-(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide
CID 2948274
N-(4-acetylphenyl)oxolane-2-carboxamide
CID 3155118
3-benzamido-N-(oxolan-2-ylmethyl)benzamide
CID 3747400
N-{4-[(Prop-2-EN-1-YL)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
CID 20954860
Methyl (4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)carbamate
CID 2961671

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide (CID 3244920) is N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide is CCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is QCHOXPUMBJNJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-10-17-15(19)12-6-8-13(9-7-12)18-16(20)14-5-4-11-21-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide?
N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3244920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).