N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide

C21H32N2O2 — CID 55763443

IUPACN-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide
SMILESCCC(CC)C(NC(=O)CN1CCCCCCC1=O)c1ccccc1
InChIInChI=1S/C21H32N2O2/c1-3-17(4-2)21(18-12-8-7-9-13-18)22-19(24)16-23-15-11-6-5-10-14-20(23)25/h7-9,12-13,17,21H,3-6,10-11,14-16H2,1-2H3,(H,22,24)
InChIKeyDNMUHGQSXIZTLO-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.07
Rot. Bonds7

About N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide

N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide (PubChem CID 55763443) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide
PubChem CID55763443
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide
SMILESCCC(CC)C(NC(=O)CN1CCCCCCC1=O)c1ccccc1
InChIInChI=1S/C21H32N2O2/c1-3-17(4-2)21(18-12-8-7-9-13-18)22-19(24)16-23-15-11-6-5-10-14-20(23)25/h7-9,12-13,17,21H,3-6,10-11,14-16H2,1-2H3,(H,22,24)
InChIKeyDNMUHGQSXIZTLO-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide
CID 131945632
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]butanoic acid
CID 119223622
N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 119528362
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
dimethyl-[(1R)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1-phenylethyl]azanium
CID 9464030
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
N-(2-amino-2-phenylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 119528982
2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 94107373
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide?
The IUPAC name of N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide (CID 55763443) is N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide?
The canonical SMILES for N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide is CCC(CC)C(NC(=O)CN1CCCCCCC1=O)c1ccccc1.
What is the InChIKey of N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide?
The InChIKey is DNMUHGQSXIZTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-3-17(4-2)21(18-12-8-7-9-13-18)22-19(24)16-23-15-11-6-5-10-14-20(23)25/h7-9,12-13,17,21H,3-6,10-11,14-16H2,1-2H3,(H,22,24).
What are the key properties of N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide?
N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide has a molecular weight of 344.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide is sourced from PubChem (CID 55763443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).