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

C21H24N2O4 — CID 55560577

IUPACN-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCOc1ccc(C(C)N(C)C(=O)CCCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C21H24N2O4/c1-15(16-10-12-17(26-3)13-11-16)22(2)20(24)9-6-14-23-18-7-4-5-8-19(18)27-21(23)25/h4-5,7-8,10-13,15H,6,9,14H2,1-3H3
InChIKeyHURFELHKEYSPOE-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.60
Rot. Bonds7

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

N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 55560577) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID55560577
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCOc1ccc(C(C)N(C)C(=O)CCCn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C21H24N2O4/c1-15(16-10-12-17(26-3)13-11-16)22(2)20(24)9-6-14-23-18-7-4-5-8-19(18)27-21(23)25/h4-5,7-8,10-13,15H,6,9,14H2,1-3H3
InChIKeyHURFELHKEYSPOE-UHFFFAOYSA-N
XLogP3.60
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906627
4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide
CID 55879575
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 7780086
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 42990131
3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 25473352
N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 43003636
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 41250658
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
[(2R)-1-amino-1-oxopropan-2-yl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 41240288
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937
N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949216
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9410020

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 55560577) is N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is COc1ccc(C(C)N(C)C(=O)CCCn2c(=O)oc3ccccc32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is HURFELHKEYSPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15(16-10-12-17(26-3)13-11-16)22(2)20(24)9-6-14-23-18-7-4-5-8-19(18)27-21(23)25/h4-5,7-8,10-13,15H,6,9,14H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 368.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 55560577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).