N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide

C25H26N2O2 — CID 43021863

IUPACN-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)NC(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c1-19-9-8-14-22(17-19)25(29)26-16-15-24(28)27-23(21-12-6-3-7-13-21)18-20-10-4-2-5-11-20/h2-14,17,23H,15-16,18H2,1H3,(H,26,29)(H,27,28)
InChIKeySUFKDBQUEDMIQC-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.22
Rot. Bonds8

About N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide

N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide (PubChem CID 43021863) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide
PubChem CID43021863
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(=O)NC(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c1-19-9-8-14-22(17-19)25(29)26-16-15-24(28)27-23(21-12-6-3-7-13-21)18-20-10-4-2-5-11-20/h2-14,17,23H,15-16,18H2,1H3,(H,26,29)(H,27,28)
InChIKeySUFKDBQUEDMIQC-UHFFFAOYSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide
CID 2442272
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide
CID 95904798
3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide
CID 134014613
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
methyl 4-methyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]pentanoate
CID 51064933
3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 2226546
3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547
N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 114300070
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide
CID 24600791
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide (CID 43021863) is N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCC(=O)NC(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide?
The InChIKey is SUFKDBQUEDMIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-19-9-8-14-22(17-19)25(29)26-16-15-24(28)27-23(21-12-6-3-7-13-21)18-20-10-4-2-5-11-20/h2-14,17,23H,15-16,18H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide?
N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide has a molecular weight of 386.50 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 43021863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).