2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide

C20H27N3O2 — CID 2450964

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide
SMILESCCN(CC(=O)Nc1cccc2ccccc12)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H27N3O2/c1-5-23(14-19(25)22-20(2,3)4)13-18(24)21-17-12-8-10-15-9-6-7-11-16(15)17/h6-12H,5,13-14H2,1-4H3,(H,21,24)(H,22,25)
InChIKeySIZGEBKKLIPFIO-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.01
Rot. Bonds6

About 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide (PubChem CID 2450964) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide
PubChem CID2450964
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide
SMILESCCN(CC(=O)Nc1cccc2ccccc12)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H27N3O2/c1-5-23(14-19(25)22-20(2,3)4)13-18(24)21-17-12-8-10-15-9-6-7-11-16(15)17/h6-12H,5,13-14H2,1-4H3,(H,21,24)(H,22,25)
InChIKeySIZGEBKKLIPFIO-UHFFFAOYSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395
2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 31993077
N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide
CID 55356747
2-[ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201362
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 40703481
2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 9039378
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8796724
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030856
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
CID 79378172
N-[3-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylphenyl]butanamide
CID 47750330
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide
CID 8796170

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide (CID 2450964) is 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide is CCN(CC(=O)Nc1cccc2ccccc12)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide?
The InChIKey is SIZGEBKKLIPFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-23(14-19(25)22-20(2,3)4)13-18(24)21-17-12-8-10-15-9-6-7-11-16(15)17/h6-12H,5,13-14H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide has a molecular weight of 341.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 2450964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).