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

C18H21N3O3 — CID 54835583

IUPACN-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C18H21N3O3/c1-3-17(22)20-14-9-7-13(8-10-14)19-12-18(23)21-15-5-4-6-16(11-15)24-2/h4-11,19H,3,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWSHMNTDEKVDFBE-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.09
Rot. Bonds7

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

N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54835583) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54835583
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C18H21N3O3/c1-3-17(22)20-14-9-7-13(8-10-14)19-12-18(23)21-15-5-4-6-16(11-15)24-2/h4-11,19H,3,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWSHMNTDEKVDFBE-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-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833198
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840781
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-(3-acetamidophenyl)-2-(4-methoxyanilino)acetamide
CID 39453688
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
CID 39381074
N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
CID 54824578
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide (CID 54835583) is N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NCC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is WSHMNTDEKVDFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-17(22)20-14-9-7-13(8-10-14)19-12-18(23)21-15-5-4-6-16(11-15)24-2/h4-11,19H,3,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide?
N-[4-[[2-(3-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-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54835583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).