N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide

C22H31N3O2 — CID 55356747

IUPACN-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)CC(=O)N(CC)c1cccc2ccccc12
InChIInChI=1S/C22H31N3O2/c1-6-24(15-20(26)23-22(3,4)5)16-21(27)25(7-2)19-14-10-12-17-11-8-9-13-18(17)19/h8-14H,6-7,15-16H2,1-5H3,(H,23,26)
InChIKeyRZYSIMFBJNKZCE-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.43
Rot. Bonds7

About N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide

N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide (PubChem CID 55356747) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide
PubChem CID55356747
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)CC(=O)N(CC)c1cccc2ccccc12
InChIInChI=1S/C22H31N3O2/c1-6-24(15-20(26)23-22(3,4)5)16-21(27)25(7-2)19-14-10-12-17-11-8-9-13-18(17)19/h8-14H,6-7,15-16H2,1-5H3,(H,23,26)
InChIKeyRZYSIMFBJNKZCE-UHFFFAOYSA-N
XLogP3.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide (CID 55356747) is N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide is CCN(CC(=O)NC(C)(C)C)CC(=O)N(CC)c1cccc2ccccc12.
What is the InChIKey of N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide?
The InChIKey is RZYSIMFBJNKZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-6-24(15-20(26)23-22(3,4)5)16-21(27)25(7-2)19-14-10-12-17-11-8-9-13-18(17)19/h8-14H,6-7,15-16H2,1-5H3,(H,23,26).
What are the key properties of N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide?
N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide has a molecular weight of 369.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 55356747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).