1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide

C13H24N2O2 — CID 106822494

IUPAC1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide
SMILESCOC1CC(NC2CCCCCC2)(C(N)=O)C1
InChIInChI=1S/C13H24N2O2/c1-17-11-8-13(9-11,12(14)16)15-10-6-4-2-3-5-7-10/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyHXXIVXYEVBVWKE-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.33
Rot. Bonds4

About 1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide

1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide (PubChem CID 106822494) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide
PubChem CID106822494
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide
SMILESCOC1CC(NC2CCCCCC2)(C(N)=O)C1
InChIInChI=1S/C13H24N2O2/c1-17-11-8-13(9-11,12(14)16)15-10-6-4-2-3-5-7-10/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyHXXIVXYEVBVWKE-UHFFFAOYSA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylamino)-3-methoxycyclobutane-1-carboxamide
CID 106822486
1-(cyclopentylamino)cyclopropane-1-carboxamide
CID 103950092
3-(cyclohexylamino)thietane-3-carboxamide
CID 131124021
3-(cycloheptylamino)azetidine-3-carboxamide
CID 79307545
1-(cyclopentylamino)-4-methylcyclohexane-1-carboxamide
CID 61002718
1-(cycloheptylamino)-3,3-dimethylcyclopentane-1-carboxamide
CID 80706275
1-(cyclopropylamino)cyclooctane-1-carboxamide
CID 60795922
methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
1-(cyclohexylamino)-4-propan-2-ylcycloheptane-1-carboxamide
CID 65089013
3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide
CID 79638102
1-(cycloheptylamino)-3-(2-methylpropyl)cyclohexane-1-carboxamide
CID 107429240
methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate
CID 115999242

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide?
The IUPAC name of 1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide (CID 106822494) is 1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide.
What is the SMILES notation for 1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide?
The canonical SMILES for 1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide is COC1CC(NC2CCCCCC2)(C(N)=O)C1.
What is the InChIKey of 1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide?
The InChIKey is HXXIVXYEVBVWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-11-8-13(9-11,12(14)16)15-10-6-4-2-3-5-7-10/h10-11,15H,2-9H2,1H3,(H2,14,16).
What are the key properties of 1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide?
1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylamino)-3-methoxycyclobutane-1-carboxamide is sourced from PubChem (CID 106822494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).