N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide

C18H20N2O2 — CID 110006449

IUPACN-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccc(CO)cc2)cc1)C1CC1
InChIInChI=1S/C18H20N2O2/c21-12-14-3-1-13(2-4-14)11-19-16-7-9-17(10-8-16)20-18(22)15-5-6-15/h1-4,7-10,15,19,21H,5-6,11-12H2,(H,20,22)
InChIKeyWXNOCFPBOWYZOT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.14
Rot. Bonds6

About N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide

N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide (PubChem CID 110006449) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide
PubChem CID110006449
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccc(CO)cc2)cc1)C1CC1
InChIInChI=1S/C18H20N2O2/c21-12-14-3-1-13(2-4-14)11-19-16-7-9-17(10-8-16)20-18(22)15-5-6-15/h1-4,7-10,15,19,21H,5-6,11-12H2,(H,20,22)
InChIKeyWXNOCFPBOWYZOT-UHFFFAOYSA-N
XLogP3.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 28660347
4-butyl-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 64792837
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
N-[4-[(1-hydroxypropan-2-ylcarbamoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 43063537
N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30886257
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide (CID 110006449) is N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(NCc2ccc(CO)cc2)cc1)C1CC1.
What is the InChIKey of N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is WXNOCFPBOWYZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-12-14-3-1-13(2-4-14)11-19-16-7-9-17(10-8-16)20-18(22)15-5-6-15/h1-4,7-10,15,19,21H,5-6,11-12H2,(H,20,22).
What are the key properties of N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide?
N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 110006449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).