N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide

C26H28N2O3 — CID 7893632

IUPACN-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C26H28N2O3/c1-18-9-3-6-13-23(18)27-26(30)22-15-20-11-4-5-12-21(20)16-24(22)31-17-25(29)28-14-8-7-10-19(28)2/h3-6,9,11-13,15-16,19H,7-8,10,14,17H2,1-2H3,(H,27,30)/t19-/m0/s1
InChIKeyIDPKZHUTRQDPGQ-IBGZPJMESA-N
MW416.52 g/mol
LogP5.18
Rot. Bonds5

About N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide

N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 7893632) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID7893632
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C26H28N2O3/c1-18-9-3-6-13-23(18)27-26(30)22-15-20-11-4-5-12-21(20)16-24(22)31-17-25(29)28-14-8-7-10-19(28)2/h3-6,9,11-13,15-16,19H,7-8,10,14,17H2,1-2H3,(H,27,30)/t19-/m0/s1
InChIKeyIDPKZHUTRQDPGQ-IBGZPJMESA-N
XLogP5.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide (CID 7893632) is N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide is Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1CCCC[C@@H]1C.
What is the InChIKey of N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is IDPKZHUTRQDPGQ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18-9-3-6-13-23(18)27-26(30)22-15-20-11-4-5-12-21(20)16-24(22)31-17-25(29)28-14-8-7-10-19(28)2/h3-6,9,11-13,15-16,19H,7-8,10,14,17H2,1-2H3,(H,27,30)/t19-/m0/s1.
What are the key properties of N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide?
N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 7893632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).