2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen

C27H32N2O — CID 178174404

IUPAC2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen
SMILESC=C1CCC(N(C)c2ccc(C)c(C(=O)N[C@H](C)c3cccc4ccccc34)c2)C1.[H][H]
InChIInChI=1S/C27H30N2O.H2/c1-18-12-14-22(16-18)29(4)23-15-13-19(2)26(17-23)27(30)28-20(3)24-11-7-9-21-8-5-6-10-25(21)24;/h5-11,13,15,17,20,22H,1,12,14,16H2,2-4H3,(H,28,30);1H/t20-,22?;/m1./s1
InChIKeyMGJQTWZDBDUKSC-DWUQZJAVSA-N
MW400.57 g/mol
LogP6.43
Rot. Bonds5

About 2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen

2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen (PubChem CID 178174404) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen
PubChem CID178174404
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen
SMILESC=C1CCC(N(C)c2ccc(C)c(C(=O)N[C@H](C)c3cccc4ccccc34)c2)C1.[H][H]
InChIInChI=1S/C27H30N2O.H2/c1-18-12-14-22(16-18)29(4)23-15-13-19(2)26(17-23)27(30)28-20(3)24-11-7-9-21-8-5-6-10-25(21)24;/h5-11,13,15,17,20,22H,1,12,14,16H2,2-4H3,(H,28,30);1H/t20-,22?;/m1./s1
InChIKeyMGJQTWZDBDUKSC-DWUQZJAVSA-N
XLogP6.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(5,6-didehydronaphthalen-1-yl)ethyl]-2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]benzamide;molecular hydrogen
CID 178174544
5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide
CID 171990634
5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide
CID 156907304
5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 178174489
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
(2R)-1-methyl-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]piperidine-2-carboxamide
CID 163231794
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-[[(2S)-pyrrolidin-2-yl]methylamino]benzamide
CID 163231585
5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231513
2-methyl-5-[1-(4-methylpiperazin-2-yl)ethenylamino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231750
2-methyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231465
(2S)-N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 175710910
5-[[(2S)-2-(dimethylamino)-3-hydroxypropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231801

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen?
The IUPAC name of 2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen (CID 178174404) is 2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen.
What is the SMILES notation for 2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen?
The canonical SMILES for 2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen is C=C1CCC(N(C)c2ccc(C)c(C(=O)N[C@H](C)c3cccc4ccccc34)c2)C1.[H][H].
What is the InChIKey of 2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen?
The InChIKey is MGJQTWZDBDUKSC-DWUQZJAVSA-N. The full InChI is InChI=1S/C27H30N2O.H2/c1-18-12-14-22(16-18)29(4)23-15-13-19(2)26(17-23)27(30)28-20(3)24-11-7-9-21-8-5-6-10-25(21)24;/h5-11,13,15,17,20,22H,1,12,14,16H2,2-4H3,(H,28,30);1H/t20-,22?;/m1./s1.
What are the key properties of 2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen?
2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen has a molecular weight of 400.57 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen is sourced from PubChem (CID 178174404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).