N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide

C21H27N3O2 — CID 120567789

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide
SMILESNCC(NC(=O)CN1CCCCCCC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H27N3O2/c22-14-19(18-11-10-16-7-4-5-8-17(16)13-18)23-20(25)15-24-12-6-2-1-3-9-21(24)26/h4-5,7-8,10-11,13,19H,1-3,6,9,12,14-15,22H2,(H,23,25)
InChIKeyWMYVMCWQFJVNRL-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.75
Rot. Bonds5

About N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide

N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide (PubChem CID 120567789) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide
PubChem CID120567789
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide
SMILESNCC(NC(=O)CN1CCCCCCC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H27N3O2/c22-14-19(18-11-10-16-7-4-5-8-17(16)13-18)23-20(25)15-24-12-6-2-1-3-9-21(24)26/h4-5,7-8,10-11,13,19H,1-3,6,9,12,14-15,22H2,(H,23,25)
InChIKeyWMYVMCWQFJVNRL-UHFFFAOYSA-N
XLogP2.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 120567800
N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 120568008
N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 120567466
N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 119528362
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568002
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 94107373
N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 120567447
N-(2-amino-2-phenylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 119528982
N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55763443
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide (CID 120567789) is N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide is NCC(NC(=O)CN1CCCCCCC1=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide?
The InChIKey is WMYVMCWQFJVNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c22-14-19(18-11-10-16-7-4-5-8-17(16)13-18)23-20(25)15-24-12-6-2-1-3-9-21(24)26/h4-5,7-8,10-11,13,19H,1-3,6,9,12,14-15,22H2,(H,23,25).
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide?
N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide is sourced from PubChem (CID 120567789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).