4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

C24H27N3O2 — CID 56962331

IUPAC4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESNCc1ccc2ccccc2c1-c1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C24H27N3O2/c25-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)26-11-12-27-13-15-29-16-14-27/h1-10H,11-17,25H2,(H,26,28)
InChIKeyLJXMOYXCVXIDDM-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.03
Rot. Bonds6

About 4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide

4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 56962331) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID56962331
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESNCc1ccc2ccccc2c1-c1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C24H27N3O2/c25-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)26-11-12-27-13-15-29-16-14-27/h1-10H,11-17,25H2,(H,26,28)
InChIKeyLJXMOYXCVXIDDM-UHFFFAOYSA-N
XLogP3.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide (CID 56962331) is 4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is NCc1ccc2ccccc2c1-c1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is LJXMOYXCVXIDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c25-17-21-10-5-18-3-1-2-4-22(18)23(21)19-6-8-20(9-7-19)24(28)26-11-12-27-13-15-29-16-14-27/h1-10H,11-17,25H2,(H,26,28).
What are the key properties of 4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 389.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)naphthalen-1-yl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 56962331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).