N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide

C23H26N2O2 — CID 18589070

IUPACN-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(c2cccc3ccccc23)N(C)C)cc1
InChIInChI=1S/C23H26N2O2/c1-4-27-19-14-12-18(13-15-19)23(26)24-16-22(25(2)3)21-11-7-9-17-8-5-6-10-20(17)21/h5-15,22H,4,16H2,1-3H3,(H,24,26)
InChIKeyIEKCLZPHNPSECB-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.27
Rot. Bonds7

About N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide

N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide (PubChem CID 18589070) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide
PubChem CID18589070
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(c2cccc3ccccc23)N(C)C)cc1
InChIInChI=1S/C23H26N2O2/c1-4-27-19-14-12-18(13-15-19)23(26)24-16-22(25(2)3)21-11-7-9-17-8-5-6-10-20(17)21/h5-15,22H,4,16H2,1-3H3,(H,24,26)
InChIKeyIEKCLZPHNPSECB-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide
CID 8701479
4-ethoxy-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 8701609
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 31322613
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-ethoxybenzamide
CID 26834445
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 27796134
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 41453878
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 45001628

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide (CID 18589070) is N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(c2cccc3ccccc23)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide?
The InChIKey is IEKCLZPHNPSECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-4-27-19-14-12-18(13-15-19)23(26)24-16-22(25(2)3)21-11-7-9-17-8-5-6-10-20(17)21/h5-15,22H,4,16H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide?
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide has a molecular weight of 362.47 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-ethoxybenzamide is sourced from PubChem (CID 18589070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).