2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide

C24H31N3O2 — CID 18269468

IUPAC2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H31N3O2/c1-24(2,3)23(29)26-20-14-12-19(13-15-20)25-21(18-10-6-4-7-11-18)22(28)27-16-8-5-9-17-27/h4,6-7,10-15,21,25H,5,8-9,16-17H2,1-3H3,(H,26,29)
InChIKeyMXYGBAYLDOCHRJ-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.84
Rot. Bonds5

About 2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide

2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide (PubChem CID 18269468) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide
PubChem CID18269468
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H31N3O2/c1-24(2,3)23(29)26-20-14-12-19(13-15-20)25-21(18-10-6-4-7-11-18)22(28)27-16-8-5-9-17-27/h4,6-7,10-15,21,25H,5,8-9,16-17H2,1-3H3,(H,26,29)
InChIKeyMXYGBAYLDOCHRJ-UHFFFAOYSA-N
XLogP4.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide
CID 31268510
2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide
CID 34296118
(2S)-2-(1,3-benzodioxol-5-ylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 41119455
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-phenyl-1-piperidin-1-ylethanone
CID 47013128
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286997
3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide
CID 94819637
2-(4-tert-butylanilino)-2-phenylacetic acid
CID 103232176
3-fluoro-N-[2-methoxy-5-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]phenyl]benzamide
CID 60542268
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286837
5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4302250
2-(4-methylanilino)-4,4-diphenyl-1-pyrrolidin-1-ylbutan-1-one
CID 171784700

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide (CID 18269468) is 2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(NC(C(=O)N2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide?
The InChIKey is MXYGBAYLDOCHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-24(2,3)23(29)26-20-14-12-19(13-15-20)25-21(18-10-6-4-7-11-18)22(28)27-16-8-5-9-17-27/h4,6-7,10-15,21,25H,5,8-9,16-17H2,1-3H3,(H,26,29).
What are the key properties of 2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide?
2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide has a molecular weight of 393.53 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide is sourced from PubChem (CID 18269468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).