N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C21H24N2O4 — CID 18159649

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C21H24N2O4/c1-14-10-11-18(26-3)16(13-14)15(2)22-20(24)9-6-12-23-17-7-4-5-8-19(17)27-21(23)25/h4-5,7-8,10-11,13,15H,6,9,12H2,1-3H3,(H,22,24)
InChIKeyNOEBSIGDKJLWAF-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.57
Rot. Bonds7

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 18159649) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID18159649
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C21H24N2O4/c1-14-10-11-18(26-3)16(13-14)15(2)22-20(24)9-6-12-23-17-7-4-5-8-19(17)27-21(23)25/h4-5,7-8,10-11,13,15H,6,9,12H2,1-3H3,(H,22,24)
InChIKeyNOEBSIGDKJLWAF-UHFFFAOYSA-N
XLogP3.57
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55747220
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031392
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9410020
N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9296847
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18190294
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 51212418
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46425090
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51212481
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55388741
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 18159649) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is COc1ccc(C)cc1C(C)NC(=O)CCCn1c(=O)oc2ccccc21.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is NOEBSIGDKJLWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-10-11-18(26-3)16(13-14)15(2)22-20(24)9-6-12-23-17-7-4-5-8-19(17)27-21(23)25/h4-5,7-8,10-11,13,15H,6,9,12H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 368.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 18159649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).