N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide

C17H24N2O — CID 106910531

IUPACN-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(CNC2CC2)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O/c20-17(14-4-2-1-3-5-14)19-16-8-6-13(7-9-16)12-18-15-10-11-15/h6-9,14-15,18H,1-5,10-12H2,(H,19,20)
InChIKeyWETRGSGSYHSKDU-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.46
Rot. Bonds5

About N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide

N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide (PubChem CID 106910531) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
PubChem CID106910531
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(CNC2CC2)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O/c20-17(14-4-2-1-3-5-14)19-16-8-6-13(7-9-16)12-18-15-10-11-15/h6-9,14-15,18H,1-5,10-12H2,(H,19,20)
InChIKeyWETRGSGSYHSKDU-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
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
N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide
CID 107176074
N-[4-[2-(cyclopropylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 82262226
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine
CID 106913373
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide (CID 106910531) is N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(CNC2CC2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide?
The InChIKey is WETRGSGSYHSKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(14-4-2-1-3-5-14)19-16-8-6-13(7-9-16)12-18-15-10-11-15/h6-9,14-15,18H,1-5,10-12H2,(H,19,20).
What are the key properties of N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide?
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 106910531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).