2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide

C17H24N2O — CID 123171697

IUPAC2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide
SMILESCC(CCc1ccccccccc1)N(C)C(=O)CN
InChIInChI=1S/C17H24N2O/c1-15(19(2)17(20)14-18)12-13-16-10-8-6-4-3-5-7-9-11-16/h3-11,15H,12-14,18H2,1-2H3/b4-3-,5-3-,6-4-,7-5+,8-6+,9-7+,10-8+,11-9-,16-10+,16-11+
InChIKeyGGJJHLBFGMCJFG-ZAGVVYQGSA-N
MW272.39 g/mol
LogP2.55
Rot. Bonds5

About 2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide

2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide (PubChem CID 123171697) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide
PubChem CID123171697
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide
SMILESCC(CCc1ccccccccc1)N(C)C(=O)CN
InChIInChI=1S/C17H24N2O/c1-15(19(2)17(20)14-18)12-13-16-10-8-6-4-3-5-7-9-11-16/h3-11,15H,12-14,18H2,1-2H3/b4-3-,5-3-,6-4-,7-5+,8-6+,9-7+,10-8+,11-9-,16-10+,16-11+
InChIKeyGGJJHLBFGMCJFG-ZAGVVYQGSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
2-amino-N-methyl-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 91645134
2-methyl-4-phenylbutanoic acid
CID 66896591
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
CID 113337561
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
N-(4-aminobutan-2-yl)-N-methyl-2-(3-methylphenyl)acetamide
CID 63225559
(2S)-4-phenylbutan-2-amine
CID 6994564

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide (CID 123171697) is 2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide is CC(CCc1ccccccccc1)N(C)C(=O)CN.
What is the InChIKey of 2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide?
The InChIKey is GGJJHLBFGMCJFG-ZAGVVYQGSA-N. The full InChI is InChI=1S/C17H24N2O/c1-15(19(2)17(20)14-18)12-13-16-10-8-6-4-3-5-7-9-11-16/h3-11,15H,12-14,18H2,1-2H3/b4-3-,5-3-,6-4-,7-5+,8-6+,9-7+,10-8+,11-9-,16-10+,16-11+.
What are the key properties of 2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide?
2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide has a molecular weight of 272.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide is sourced from PubChem (CID 123171697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).