N-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide

C20H22N2O3 — CID 4198329

IUPACN-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-4-6-15(7-5-14)13-21-19(23)16-8-10-17(11-9-16)22-20(24)18-3-2-12-25-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyRTUKKIFXQMOCSL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.04
Rot. Bonds5

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

N-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 4198329) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID4198329
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-4-6-15(7-5-14)13-21-19(23)16-8-10-17(11-9-16)22-20(24)18-3-2-12-25-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyRTUKKIFXQMOCSL-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 4916601
N-[2-(morpholin-4-yl)ethyl]-4-(pentanoylamino)benzamide
CID 2212314
4-(acetylamino)-N-(3-isopropoxypropyl)benzamide
CID 2228400
3-nitro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2948274
2-chloro-4,5-difluoro-N-(4-{[(tetrahydro-2-furanylmethyl)amino]carbonyl}phenyl)benzamide
CID 2974799
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
N-(4-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 3236078
Ethyl 4-{[(tetrahydrofuran-2-ylmethyl)amino]carbonyl}phenylcarbamate
CID 3237182
Ethyl 1-{4-[(tetrahydrofuran-2-ylcarbonyl)amino]benzoyl}piperidine-4-carboxylate
CID 3238537

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 4198329) is N-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide is Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is RTUKKIFXQMOCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-4-6-15(7-5-14)13-21-19(23)16-8-10-17(11-9-16)22-20(24)18-3-2-12-25-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 4198329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).