N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide

C17H22N2O — CID 124617078

IUPACN-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@@]1(C#N)CCc2ccccc2C1
InChIInChI=1S/C17H22N2O/c1-13(2)7-8-16(20)19-17(12-18)10-9-14-5-3-4-6-15(14)11-17/h3-6,13H,7-11H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyWRXTUHUWCCMBDX-KRWDZBQOSA-N
MW270.38 g/mol
LogP2.99
Rot. Bonds4

About N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide

N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide (PubChem CID 124617078) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide
PubChem CID124617078
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@@]1(C#N)CCc2ccccc2C1
InChIInChI=1S/C17H22N2O/c1-13(2)7-8-16(20)19-17(12-18)10-9-14-5-3-4-6-15(14)11-17/h3-6,13H,7-11H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyWRXTUHUWCCMBDX-KRWDZBQOSA-N
XLogP2.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 10375184
N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-methylcyclopentene-1-carboxamide
CID 127896407
(2S)-N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124617051
N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide
CID 99831684
N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124617084
N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-5-ethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 119049731
tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate
CID 164650703
N-(1-cyanocyclopentyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 51073006
N-(4-cyanooxan-4-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanamide
CID 95928324
2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 60997796
N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106356
2-(2-methylpentyl)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 65407860

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide?
The IUPAC name of N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide (CID 124617078) is N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide.
What is the SMILES notation for N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide?
The canonical SMILES for N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide is CC(C)CCC(=O)N[C@@]1(C#N)CCc2ccccc2C1.
What is the InChIKey of N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide?
The InChIKey is WRXTUHUWCCMBDX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(2)7-8-16(20)19-17(12-18)10-9-14-5-3-4-6-15(14)11-17/h3-6,13H,7-11H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide?
N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide has a molecular weight of 270.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-methylpentanamide is sourced from PubChem (CID 124617078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).