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

C23H29N3O3 — CID 3242527

IUPACN-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)c(C)c1
InChIInChI=1S/C23H29N3O3/c1-4-26(5-2)19-12-13-20(16(3)15-19)25-22(27)17-8-10-18(11-9-17)24-23(28)21-7-6-14-29-21/h8-13,15,21H,4-7,14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyVEQMCQMNLQMUIH-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.21
Rot. Bonds7

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

N-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 3242527) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID3242527
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)c(C)c1
InChIInChI=1S/C23H29N3O3/c1-4-26(5-2)19-12-13-20(16(3)15-19)25-22(27)17-8-10-18(11-9-17)24-23(28)21-7-6-14-29-21/h8-13,15,21H,4-7,14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyVEQMCQMNLQMUIH-UHFFFAOYSA-N
XLogP4.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 3242527) is N-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)c(C)c1.
What is the InChIKey of N-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is VEQMCQMNLQMUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-26(5-2)19-12-13-20(16(3)15-19)25-22(27)17-8-10-18(11-9-17)24-23(28)21-7-6-14-29-21/h8-13,15,21H,4-7,14H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
N-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylamino)-2-methylphenyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3242527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).