2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

C21H29N3O2 — CID 8906831

IUPAC2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C21H29N3O2/c1-5-24(13-20(25)22-15(2)3)14-21(26)23-16(4)18-11-10-17-8-6-7-9-19(17)12-18/h6-12,15-16H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)/t16-/m0/s1
InChIKeyBHLMMJALJGDMTL-INIZCTEOSA-N
MW355.48 g/mol
LogP2.86
Rot. Bonds8

About 2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (PubChem CID 8906831) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
PubChem CID8906831
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C21H29N3O2/c1-5-24(13-20(25)22-15(2)3)14-21(26)23-16(4)18-11-10-17-8-6-7-9-19(17)12-18/h6-12,15-16H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)/t16-/m0/s1
InChIKeyBHLMMJALJGDMTL-INIZCTEOSA-N
XLogP2.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 9050148
2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26011498
2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8906855
ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906830
N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide
CID 95352558
2-[2-hydroxyethyl(methyl)amino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 110880775
2-[ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8906778
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
CID 145167026
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
2-[[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8792770

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (CID 8906831) is 2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is BHLMMJALJGDMTL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-5-24(13-20(25)22-15(2)3)14-21(26)23-16(4)18-11-10-17-8-6-7-9-19(17)12-18/h6-12,15-16H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)/t16-/m0/s1.
What are the key properties of 2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 355.48 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8906831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).