N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide

C16H24N2O — CID 106909905

IUPACN-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
SMILESCNCc1ccc(NC(=O)C2CCCCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-17-12-13-8-10-15(11-9-13)18-16(19)14-6-4-2-3-5-7-14/h8-11,14,17H,2-7,12H2,1H3,(H,18,19)
InChIKeyKSJDIAFLTLGSJC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.31
Rot. Bonds4

About N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide

N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide (PubChem CID 106909905) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
PubChem CID106909905
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
SMILESCNCc1ccc(NC(=O)C2CCCCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-17-12-13-8-10-15(11-9-13)18-16(19)14-6-4-2-3-5-7-14/h8-11,14,17H,2-7,12H2,1H3,(H,18,19)
InChIKeyKSJDIAFLTLGSJC-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257
1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea
CID 106911506
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[3-[[(4-acetamidophenyl)methylamino]methyl]phenyl]cyclopentanecarboxamide
CID 47052652
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide?
The IUPAC name of N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide (CID 106909905) is N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide?
The canonical SMILES for N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide is CNCc1ccc(NC(=O)C2CCCCCC2)cc1.
What is the InChIKey of N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide?
The InChIKey is KSJDIAFLTLGSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-12-13-8-10-15(11-9-13)18-16(19)14-6-4-2-3-5-7-14/h8-11,14,17H,2-7,12H2,1H3,(H,18,19).
What are the key properties of N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide?
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide is sourced from PubChem (CID 106909905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).