3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane

C26H33NO2 — CID 178174542

IUPAC3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane
SMILESCC(=O)CC[C@@H](NC(=O)c1cccc(C)c1)c1cccc2ccccc12.CCC.[H][H]
InChIInChI=1S/C23H23NO2.C3H8.H2/c1-16-7-5-10-19(15-16)23(26)24-22(14-13-17(2)25)21-12-6-9-18-8-3-4-11-20(18)21;1-3-2;/h3-12,15,22H,13-14H2,1-2H3,(H,24,26);3H2,1-2H3;1H/t22-;;/m1../s1
InChIKeyXICMCTHBAKRCSP-GJICFQLNSA-N
MW391.56 g/mol
LogP6.65
Rot. Bonds6

About 3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane

3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane (PubChem CID 178174542) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane
PubChem CID178174542
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane
SMILESCC(=O)CC[C@@H](NC(=O)c1cccc(C)c1)c1cccc2ccccc12.CCC.[H][H]
InChIInChI=1S/C23H23NO2.C3H8.H2/c1-16-7-5-10-19(15-16)23(26)24-22(14-13-17(2)25)21-12-6-9-18-8-3-4-11-20(18)21;1-3-2;/h3-12,15,22H,13-14H2,1-2H3,(H,24,26);3H2,1-2H3;1H/t22-;;/m1../s1
InChIKeyXICMCTHBAKRCSP-GJICFQLNSA-N
XLogP6.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[1-(1-naphthalen-1-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 112765749
N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635
ethane;3-[hept-1-en-4-yl(methyl)amino]-N-[(1R)-1-naphthalen-1-yl-4-oxohexyl]benzamide;molecular hydrogen;prop-1-ene
CID 178174513
ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 5164713
3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 8701638
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
CID 4274954
(2R)-2-[(3-methylbenzoyl)amino]butanoic acid
CID 42255033
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
diethyl 2-[benzamido(naphthalen-1-yl)methyl]propanedioate
CID 102169461
3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane?
The IUPAC name of 3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane (CID 178174542) is 3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane.
What is the SMILES notation for 3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane?
The canonical SMILES for 3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane is CC(=O)CC[C@@H](NC(=O)c1cccc(C)c1)c1cccc2ccccc12.CCC.[H][H].
What is the InChIKey of 3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane?
The InChIKey is XICMCTHBAKRCSP-GJICFQLNSA-N. The full InChI is InChI=1S/C23H23NO2.C3H8.H2/c1-16-7-5-10-19(15-16)23(26)24-22(14-13-17(2)25)21-12-6-9-18-8-3-4-11-20(18)21;1-3-2;/h3-12,15,22H,13-14H2,1-2H3,(H,24,26);3H2,1-2H3;1H/t22-;;/m1../s1.
What are the key properties of 3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane?
3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane has a molecular weight of 391.56 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-naphthalen-1-yl-4-oxopentyl]benzamide;molecular hydrogen;propane is sourced from PubChem (CID 178174542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).