benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium

C24H29N2O+ — CID 54366535

IUPACbenzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium
SMILESCC[N+](CC)(CCNC(=O)c1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C24H28N2O/c1-3-26(4-2,19-20-10-6-5-7-11-20)17-16-25-24(27)23-15-14-21-12-8-9-13-22(21)18-23/h5-15,18H,3-4,16-17,19H2,1-2H3/p+1
InChIKeyUQEIHTXBVSTSMY-UHFFFAOYSA-O
MW361.51 g/mol
LogP4.63
Rot. Bonds8

About benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium

benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium (PubChem CID 54366535) has the molecular formula C24H29N2O+ and a molecular weight of 361.51 g/mol. Its IUPAC name is benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium.

Molecular Properties

Compound Namebenzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium
PubChem CID54366535
Molecular FormulaC24H29N2O+
Molecular Weight361.51 g/mol
Exact Mass361.23
IUPAC Namebenzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium
SMILESCC[N+](CC)(CCNC(=O)c1ccc2ccccc2c1)Cc1ccccc1
InChIInChI=1S/C24H28N2O/c1-3-26(4-2,19-20-10-6-5-7-11-20)17-16-25-24(27)23-15-14-21-12-8-9-13-22(21)18-23/h5-15,18H,3-4,16-17,19H2,1-2H3/p+1
InChIKeyUQEIHTXBVSTSMY-UHFFFAOYSA-O
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-propylnaphthalene-2-carboxamide
CID 6624536
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
CID 139642234
benzyl-diethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium bromide
CID 155773845
N-(3-hydroxypentyl)naphthalene-2-carboxamide
CID 115703584
2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
CID 80538465
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001

Frequently Asked Questions

What is the IUPAC name of benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium?
The IUPAC name of benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium (CID 54366535) is benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium.
What is the SMILES notation for benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium?
The canonical SMILES for benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium is CC[N+](CC)(CCNC(=O)c1ccc2ccccc2c1)Cc1ccccc1.
What is the InChIKey of benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium?
The InChIKey is UQEIHTXBVSTSMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N2O/c1-3-26(4-2,19-20-10-6-5-7-11-20)17-16-25-24(27)23-15-14-21-12-8-9-13-22(21)18-23/h5-15,18H,3-4,16-17,19H2,1-2H3/p+1.
What are the key properties of benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium?
benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium has a molecular weight of 361.51 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium is sourced from PubChem (CID 54366535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).