2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide

C15H22N2O — CID 67562657

IUPAC2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
SMILESCC1=CCC=C(N(C)C(=O)CNC2CCC2)C=C1
InChIInChI=1S/C15H22N2O/c1-12-5-3-8-14(10-9-12)17(2)15(18)11-16-13-6-4-7-13/h5,8-10,13,16H,3-4,6-7,11H2,1-2H3
InChIKeyGBENBRXDNQDIDP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.38
Rot. Bonds4

About 2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide

2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide (PubChem CID 67562657) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide.

Molecular Properties

Compound Name2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
PubChem CID67562657
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
SMILESCC1=CCC=C(N(C)C(=O)CNC2CCC2)C=C1
InChIInChI=1S/C15H22N2O/c1-12-5-3-8-14(10-9-12)17(2)15(18)11-16-13-6-4-7-13/h5,8-10,13,16H,3-4,6-7,11H2,1-2H3
InChIKeyGBENBRXDNQDIDP-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-[3-(ethylamino)-5-methyl-2-oxo-3H-azepin-1-yl]acetyl]azanide;yttrium
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N-[(2Z,4E,6E)-4-ethylidene-6-methylnona-2,6-dien-5-yl]-2-(methylamino)acetamide
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CID 67562649
N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide
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2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
CID 67562659
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CID 88905276
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CID 89096766
(2E,4E)-2-amino-N-butyl-4-methylhexa-2,4-dienamide
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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
The IUPAC name of 2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide (CID 67562657) is 2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide.
What is the SMILES notation for 2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
The canonical SMILES for 2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide is CC1=CCC=C(N(C)C(=O)CNC2CCC2)C=C1.
What is the InChIKey of 2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
The InChIKey is GBENBRXDNQDIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-3-8-14(10-9-12)17(2)15(18)11-16-13-6-4-7-13/h5,8-10,13,16H,3-4,6-7,11H2,1-2H3.
What are the key properties of 2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide is sourced from PubChem (CID 67562657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).