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

C20H22N2O4 — CID 3239511

IUPACN-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-17-10-4-14(5-11-17)13-21-19(23)15-6-8-16(9-7-15)22-20(24)18-3-2-12-26-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyXIBJSPUTXQKXSI-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.74
Rot. Bonds6

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

N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 3239511) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID3239511
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-17-10-4-14(5-11-17)13-21-19(23)15-6-8-16(9-7-15)22-20(24)18-3-2-12-26-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyXIBJSPUTXQKXSI-UHFFFAOYSA-N
XLogP2.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

JW 55
CID 2946601
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CID 3330477
1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 6463949
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CID 204987
Methyl 4-[(2-phenoxypropanoyl)amino]benzoate
CID 2867477
(2R)-N-[4-(benzoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019881
Furan-2-carboxamide deriv., 13
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CID 1331247

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 3239511) is N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide is COc1ccc(CNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is XIBJSPUTXQKXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-10-4-14(5-11-17)13-21-19(23)15-6-8-16(9-7-15)22-20(24)18-3-2-12-26-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3239511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).