N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide

C18H26N2O — CID 112985012

IUPACN-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(NC2CCCCCC2)cc1)C1CCC1
InChIInChI=1S/C18H26N2O/c21-18(14-6-5-7-14)20-17-12-10-16(11-13-17)19-15-8-3-1-2-4-9-15/h10-15,19H,1-9H2,(H,20,21)
InChIKeySMRMGVUXLKWTAW-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.56
Rot. Bonds4

About N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide

N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide (PubChem CID 112985012) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
PubChem CID112985012
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(NC2CCCCCC2)cc1)C1CCC1
InChIInChI=1S/C18H26N2O/c21-18(14-6-5-7-14)20-17-12-10-16(11-13-17)19-15-8-3-1-2-4-9-15/h10-15,19H,1-9H2,(H,20,21)
InChIKeySMRMGVUXLKWTAW-UHFFFAOYSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(cyclooctylamino)phenyl]cyclopropanecarboxamide
CID 29049901
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide
CID 43511624
[4-(cyclopentylamino)phenyl]urea
CID 43744886
methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
N-[4-[(3-methylcyclobutyl)amino]phenyl]cyclopropanecarboxamide
CID 104860025

Frequently Asked Questions

What is the IUPAC name of N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide (CID 112985012) is N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide is O=C(Nc1ccc(NC2CCCCCC2)cc1)C1CCC1.
What is the InChIKey of N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide?
The InChIKey is SMRMGVUXLKWTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(14-6-5-7-14)20-17-12-10-16(11-13-17)19-15-8-3-1-2-4-9-15/h10-15,19H,1-9H2,(H,20,21).
What are the key properties of N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide?
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide has a molecular weight of 286.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 112985012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).