(2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide

C20H22N2O5 — CID 51936894

IUPAC(2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(OC)c1
InChIInChI=1S/C20H22N2O5/c1-25-15-9-10-16(18(12-15)26-2)19(23)21-13-5-7-14(8-6-13)22-20(24)17-4-3-11-27-17/h5-10,12,17H,3-4,11H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyMHSCPKWRJSQRKH-KRWDZBQOSA-N
MW370.41 g/mol
LogP3.07
Rot. Bonds6

About (2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide

(2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide (PubChem CID 51936894) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is (2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide
PubChem CID51936894
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name(2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(OC)c1
InChIInChI=1S/C20H22N2O5/c1-25-15-9-10-16(18(12-15)26-2)19(23)21-13-5-7-14(8-6-13)22-20(24)17-4-3-11-27-17/h5-10,12,17H,3-4,11H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyMHSCPKWRJSQRKH-KRWDZBQOSA-N
XLogP3.07
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
CID 110776693
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113019484
(2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate
CID 124504616
(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396628
N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401
(2S)-N-[4-[(2-iodobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396701

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide (CID 51936894) is (2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide is COc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(OC)c1.
What is the InChIKey of (2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide?
The InChIKey is MHSCPKWRJSQRKH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-25-15-9-10-16(18(12-15)26-2)19(23)21-13-5-7-14(8-6-13)22-20(24)17-4-3-11-27-17/h5-10,12,17H,3-4,11H2,1-2H3,(H,21,23)(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide?
(2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 51936894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).