trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium

C25H31N2O2+ — CID 139793428

IUPACtrimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium
SMILESC[N+](C)(C)CCNC(=O)c1ccc2cc(OCCCc3ccccc3)ccc2c1
InChIInChI=1S/C25H30N2O2/c1-27(2,3)16-15-26-25(28)23-12-11-22-19-24(14-13-21(22)18-23)29-17-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-14,18-19H,7,10,15-17H2,1-3H3/p+1
InChIKeyIQVBQLNSZNTPGE-UHFFFAOYSA-O
MW391.54 g/mol
LogP4.29
Rot. Bonds9

About trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium

trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium (PubChem CID 139793428) has the molecular formula C25H31N2O2+ and a molecular weight of 391.54 g/mol. Its IUPAC name is trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium
PubChem CID139793428
Molecular FormulaC25H31N2O2+
Molecular Weight391.54 g/mol
Exact Mass391.24
IUPAC Nametrimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium
SMILESC[N+](C)(C)CCNC(=O)c1ccc2cc(OCCCc3ccccc3)ccc2c1
InChIInChI=1S/C25H30N2O2/c1-27(2,3)16-15-26-25(28)23-12-11-22-19-24(14-13-21(22)18-23)29-17-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-14,18-19H,7,10,15-17H2,1-3H3/p+1
InChIKeyIQVBQLNSZNTPGE-UHFFFAOYSA-O
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
benzyl-dimethyl-[4-[[4-(5-phenylpentoxy)benzoyl]amino]butyl]azanium
CID 139793402
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
2-(3-phenylpropoxy)naphthalene
CID 13432986
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
CID 17233441
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium
CID 54366535
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
N-[3-(4-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909022
3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide
CID 26976673
4-(2-ethoxyethoxy)-N-(2-phenylethyl)benzamide
CID 17112545

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium?
The IUPAC name of trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium (CID 139793428) is trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium is C[N+](C)(C)CCNC(=O)c1ccc2cc(OCCCc3ccccc3)ccc2c1.
What is the InChIKey of trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium?
The InChIKey is IQVBQLNSZNTPGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H30N2O2/c1-27(2,3)16-15-26-25(28)23-12-11-22-19-24(14-13-21(22)18-23)29-17-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-14,18-19H,7,10,15-17H2,1-3H3/p+1.
What are the key properties of trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium?
trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium has a molecular weight of 391.54 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[6-(3-phenylpropoxy)naphthalene-2-carbonyl]amino]ethyl]azanium is sourced from PubChem (CID 139793428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).