N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide

C18H21N3O3 — CID 54833198

IUPACN-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21N3O3/c1-3-17(22)21-15-6-4-5-14(11-15)19-12-18(23)20-13-7-9-16(24-2)10-8-13/h4-11,19H,3,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGVMWCSWDLLNAJD-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.09
Rot. Bonds7

About N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide

N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54833198) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54833198
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21N3O3/c1-3-17(22)21-15-6-4-5-14(11-15)19-12-18(23)20-13-7-9-16(24-2)10-8-13/h4-11,19H,3,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGVMWCSWDLLNAJD-UHFFFAOYSA-N
XLogP3.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31760902
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
2-(3-ethynylanilino)-N-(4-methoxyphenyl)acetamide
CID 28564126
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide (CID 54833198) is N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NCC(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is GVMWCSWDLLNAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-17(22)21-15-6-4-5-14(11-15)19-12-18(23)20-13-7-9-16(24-2)10-8-13/h4-11,19H,3,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide?
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 327.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54833198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).