N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide

C27H30N2O2 — CID 132664613

IUPACN-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O2/c1-20-12-10-11-17-24(20)19-29(21(2)27(31)28-3)26(30)18-25(22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-17,21,25H,18-19H2,1-3H3,(H,28,31)
InChIKeyYPRKARDIVLLPBT-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.68
Rot. Bonds8

About N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide

N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide (PubChem CID 132664613) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide
PubChem CID132664613
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O2/c1-20-12-10-11-17-24(20)19-29(21(2)27(31)28-3)26(30)18-25(22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-17,21,25H,18-19H2,1-3H3,(H,28,31)
InChIKeyYPRKARDIVLLPBT-UHFFFAOYSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-methyl-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100568207
(2R)-N-methyl-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100568199
2-[[2-(2-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132652351
2-[(2-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-methylpropanamide
CID 132654084
(2S)-N-methyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanamide
CID 100568540
(2R)-2-[3,3-diphenylpropanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100548461
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 100568188
2-[[2-(4-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132655540
2-[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132678973
(2S)-2-[[2-(2-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100655267
(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 100568123
2-[[2-(4-tert-butylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132660455

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide (CID 132664613) is N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide is CNC(=O)C(C)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide?
The InChIKey is YPRKARDIVLLPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-20-12-10-11-17-24(20)19-29(21(2)27(31)28-3)26(30)18-25(22-13-6-4-7-14-22)23-15-8-5-9-16-23/h4-17,21,25H,18-19H2,1-3H3,(H,28,31).
What are the key properties of N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide?
N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide has a molecular weight of 414.55 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 132664613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).