3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide

C21H22N2O2 — CID 170293328

IUPAC3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide
SMILESNCCc1cc(C(=O)Nc2cccc3ccccc23)ccc1CCO
InChIInChI=1S/C21H22N2O2/c22-12-10-17-14-18(9-8-15(17)11-13-24)21(25)23-20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14,24H,10-13,22H2,(H,23,25)
InChIKeyBDBSLMNBSIPFFZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.13
Rot. Bonds6

About 3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide

3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide (PubChem CID 170293328) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide
PubChem CID170293328
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide
SMILESNCCc1cc(C(=O)Nc2cccc3ccccc23)ccc1CCO
InChIInChI=1S/C21H22N2O2/c22-12-10-17-14-18(9-8-15(17)11-13-24)21(25)23-20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14,24H,10-13,22H2,(H,23,25)
InChIKeyBDBSLMNBSIPFFZ-UHFFFAOYSA-N
XLogP3.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
CID 102214638
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
N-naphthalen-1-yldibenzofuran-2-carboxamide
CID 18876147
2-hydrazinyl-N-naphthalen-1-ylpyridine-4-carboxamide
CID 62233221
4-(4-acetylphenyl)-N-naphthalen-1-ylbenzamide
CID 170421600
4-[(4-bromobenzoyl)amino]-N-naphthalen-1-ylbenzamide
CID 1215843
3-bromo-N-naphthalen-1-yl-4-prop-2-enoxybenzamide
CID 17067171
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 46862145
naphthalen-1-ylurea;hydrochloride
CID 141142203
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
CID 35186877
2-(methylamino)-N-naphthalen-1-ylpyridine-4-carboxamide
CID 62185750

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide?
The IUPAC name of 3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide (CID 170293328) is 3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide is NCCc1cc(C(=O)Nc2cccc3ccccc23)ccc1CCO.
What is the InChIKey of 3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide?
The InChIKey is BDBSLMNBSIPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c22-12-10-17-14-18(9-8-15(17)11-13-24)21(25)23-20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14,24H,10-13,22H2,(H,23,25).
What are the key properties of 3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide?
3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 170293328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).