N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C21H24N2O4 — CID 18113379

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCOc1ccc(CN(C)C(=O)CCCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C21H24N2O4/c1-3-26-17-12-10-16(11-13-17)15-22(2)20(24)9-6-14-23-18-7-4-5-8-19(18)27-21(23)25/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3
InChIKeyICCFSFRBVOPEQJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.43
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 18113379) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID18113379
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCOc1ccc(CN(C)C(=O)CCCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C21H24N2O4/c1-3-26-17-12-10-16(11-13-17)15-22(2)20(24)9-6-14-23-18-7-4-5-8-19(18)27-21(23)25/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3
InChIKeyICCFSFRBVOPEQJ-UHFFFAOYSA-N
XLogP3.43
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 42990131
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32757922
N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18081180
3-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 18098164
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55560577
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 51201343
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 27823112
N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906627
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 46819613
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 7780086

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 18113379) is N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CCOc1ccc(CN(C)C(=O)CCCn2c(=O)oc3ccccc32)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is ICCFSFRBVOPEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-26-17-12-10-16(11-13-17)15-22(2)20(24)9-6-14-23-18-7-4-5-8-19(18)27-21(23)25/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 368.43 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 18113379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).