N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide

C27H34N2O2 — CID 163674208

IUPACN-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide
SMILESCc1ccc(C2C=CN(C(=O)[C@H](NC(=O)CC(C)c3ccccc3)C(C)C)CC2)cc1
InChIInChI=1S/C27H34N2O2/c1-19(2)26(28-25(30)18-21(4)22-8-6-5-7-9-22)27(31)29-16-14-24(15-17-29)23-12-10-20(3)11-13-23/h5-14,16,19,21,24,26H,15,17-18H2,1-4H3,(H,28,30)/t21?,24?,26-/m1/s1
InChIKeyJFFNASGLDOGQSA-XAZLJPHMSA-N
MW418.58 g/mol
LogP5.16
Rot. Bonds7

About N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide

N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide (PubChem CID 163674208) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide
PubChem CID163674208
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC NameN-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide
SMILESCc1ccc(C2C=CN(C(=O)[C@H](NC(=O)CC(C)c3ccccc3)C(C)C)CC2)cc1
InChIInChI=1S/C27H34N2O2/c1-19(2)26(28-25(30)18-21(4)22-8-6-5-7-9-22)27(31)29-16-14-24(15-17-29)23-12-10-20(3)11-13-23/h5-14,16,19,21,24,26H,15,17-18H2,1-4H3,(H,28,30)/t21?,24?,26-/m1/s1
InChIKeyJFFNASGLDOGQSA-XAZLJPHMSA-N
XLogP5.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-2-(2-phenylpropylamino)butan-1-one
CID 143524967
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(4-phenylphenyl)acetamide
CID 67299469
2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
CID 122500260
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide
CID 110624490
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-[1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 51327509
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-methylphenyl)propanamide
CID 24758299
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4,4,4-trifluoro-3-methylbutanamide;methane
CID 159768798
2-methyl-3-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119218736

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide?
The IUPAC name of N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide (CID 163674208) is N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide?
The canonical SMILES for N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide is Cc1ccc(C2C=CN(C(=O)[C@H](NC(=O)CC(C)c3ccccc3)C(C)C)CC2)cc1.
What is the InChIKey of N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide?
The InChIKey is JFFNASGLDOGQSA-XAZLJPHMSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-19(2)26(28-25(30)18-21(4)22-8-6-5-7-9-22)27(31)29-16-14-24(15-17-29)23-12-10-20(3)11-13-23/h5-14,16,19,21,24,26H,15,17-18H2,1-4H3,(H,28,30)/t21?,24?,26-/m1/s1.
What are the key properties of N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide?
N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide has a molecular weight of 418.58 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-[4-(4-methylphenyl)-3,4-dihydro-2H-pyridin-1-yl]-1-oxobutan-2-yl]-3-phenylbutanamide is sourced from PubChem (CID 163674208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).