methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate

C23H25NO2 — CID 91341170

IUPACmethyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate
SMILESCCN(CCCc1ccccc1C(=O)OC)c1cccc2ccccc12
InChIInChI=1S/C23H25NO2/c1-3-24(22-16-8-12-18-10-4-6-14-20(18)22)17-9-13-19-11-5-7-15-21(19)23(25)26-2/h4-8,10-12,14-16H,3,9,13,17H2,1-2H3
InChIKeyNKAPCHNHQKMNLZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.09
Rot. Bonds7

About methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate

methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate (PubChem CID 91341170) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate
PubChem CID91341170
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Namemethyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate
SMILESCCN(CCCc1ccccc1C(=O)OC)c1cccc2ccccc12
InChIInChI=1S/C23H25NO2/c1-3-24(22-16-8-12-18-10-4-6-14-20(18)22)17-9-13-19-11-5-7-15-21(19)23(25)26-2/h4-8,10-12,14-16H,3,9,13,17H2,1-2H3
InChIKeyNKAPCHNHQKMNLZ-UHFFFAOYSA-N
XLogP5.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[ethyl(naphthalen-1-yl)amino]hexan-3-one
CID 106801134
5-[3-[ethyl(naphthalen-1-yl)amino]propyl]-2-fluorobenzoic acid
CID 67532479
methane;methyl 2-propylbenzoate
CID 167647144
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 2-[(E)-5-methoxypent-4-enyl]benzoate
CID 70273794
methyl 2-(4,4-dimethoxybutyl)benzoate
CID 71465760
N,N,N'-triethyl-N'-naphthalen-1-ylethane-1,2-diamine
CID 3028375
methyl 2-[5-(2-methoxycarbonylphenyl)-3-oxopentyl]benzoate
CID 19922194
N'-ethyl-N'-naphthalen-1-yl-N-propan-2-ylbutane-1,4-diamine
CID 60851673
N'-ethyl-N-(2-methoxyethyl)-N'-naphthalen-1-ylethane-1,2-diamine
CID 62574394
methyl 2-amino-3-[benzyl(ethyl)amino]benzoate
CID 115544694

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate?
The IUPAC name of methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate (CID 91341170) is methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate.
What is the SMILES notation for methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate?
The canonical SMILES for methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate is CCN(CCCc1ccccc1C(=O)OC)c1cccc2ccccc12.
What is the InChIKey of methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate?
The InChIKey is NKAPCHNHQKMNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-3-24(22-16-8-12-18-10-4-6-14-20(18)22)17-9-13-19-11-5-7-15-21(19)23(25)26-2/h4-8,10-12,14-16H,3,9,13,17H2,1-2H3.
What are the key properties of methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate?
methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate has a molecular weight of 347.46 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[ethyl(naphthalen-1-yl)amino]propyl]benzoate is sourced from PubChem (CID 91341170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).