N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide

C21H23N3O5 — CID 25162663

IUPACN-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C21H23N3O5/c1-3-12-23(13-19(25)22-15-8-4-6-10-17(15)28-2)20(26)14-24-16-9-5-7-11-18(16)29-21(24)27/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyIAMSZXKNMJFUFJ-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.48
Rot. Bonds8

About N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide

N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide (PubChem CID 25162663) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide
PubChem CID25162663
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C21H23N3O5/c1-3-12-23(13-19(25)22-15-8-4-6-10-17(15)28-2)20(26)14-24-16-9-5-7-11-18(16)29-21(24)27/h4-11H,3,12-14H2,1-2H3,(H,22,25)
InChIKeyIAMSZXKNMJFUFJ-UHFFFAOYSA-N
XLogP2.48
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate
CID 87020688
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
2-(3,6-dihydro-2H-pyridin-1-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 166204006
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9006277
N-(2-methoxyphenyl)-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 16582076
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide
CID 31185431
methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate
CID 87020691
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide
CID 8005781
2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8620896
ethyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 17321915
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzoate
CID 4055331

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide?
The IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide (CID 25162663) is N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide?
The canonical SMILES for N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide?
The InChIKey is IAMSZXKNMJFUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-3-12-23(13-19(25)22-15-8-4-6-10-17(15)28-2)20(26)14-24-16-9-5-7-11-18(16)29-21(24)27/h4-11H,3,12-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide?
N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide has a molecular weight of 397.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide is sourced from PubChem (CID 25162663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).