N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide

C19H23N3O2 — CID 54837141

IUPACN-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-3-4-18(23)21-17-11-9-15(10-12-17)20-13-19(24)22-16-7-5-14(2)6-8-16/h5-12,20H,3-4,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHCKFOIJQVZKEGH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.78
Rot. Bonds7

About N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide

N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide (PubChem CID 54837141) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
PubChem CID54837141
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-3-4-18(23)21-17-11-9-15(10-12-17)20-13-19(24)22-16-7-5-14(2)6-8-16/h5-12,20H,3-4,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHCKFOIJQVZKEGH-UHFFFAOYSA-N
XLogP3.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
CID 54809172
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide
CID 54812294

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide (CID 54837141) is N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide?
The InChIKey is HCKFOIJQVZKEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-4-18(23)21-17-11-9-15(10-12-17)20-13-19(24)22-16-7-5-14(2)6-8-16/h5-12,20H,3-4,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide?
N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide has a molecular weight of 325.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide is sourced from PubChem (CID 54837141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).