N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide

C25H34N4O2 — CID 112841143

IUPACN-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCCN(c2ccccc2)CC1
InChIInChI=1S/C25H34N4O2/c1-3-14-29(19-24(30)26-23-13-8-7-10-21(23)2)25(31)20-27-15-9-16-28(18-17-27)22-11-5-4-6-12-22/h4-8,10-13H,3,9,14-20H2,1-2H3,(H,26,30)
InChIKeyZXAWYHICMIXJQW-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.38
Rot. Bonds8

About N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide

N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide (PubChem CID 112841143) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide
PubChem CID112841143
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCCN(c2ccccc2)CC1
InChIInChI=1S/C25H34N4O2/c1-3-14-29(19-24(30)26-23-13-8-7-10-21(23)2)25(31)20-27-15-9-16-28(18-17-27)22-11-5-4-6-12-22/h4-8,10-13H,3,9,14-20H2,1-2H3,(H,26,30)
InChIKeyZXAWYHICMIXJQW-UHFFFAOYSA-N
XLogP3.38
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide
CID 112840661
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 146131196
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 17493433
N-(2,6-dimethylphenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8917545
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 17486565
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 112826133
N-(2-chlorophenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8800132
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592918
N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
CID 38676277
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide?
The IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide (CID 112841143) is N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide.
What is the SMILES notation for N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide?
The canonical SMILES for N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide?
The InChIKey is ZXAWYHICMIXJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-3-14-29(19-24(30)26-23-13-8-7-10-21(23)2)25(31)20-27-15-9-16-28(18-17-27)22-11-5-4-6-12-22/h4-8,10-13H,3,9,14-20H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide?
N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide has a molecular weight of 422.57 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide is sourced from PubChem (CID 112841143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).