N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide

C16H22N2O2 — CID 106593465

IUPACN-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NC2CCC(O)CC2)c1)C1CC1
InChIInChI=1S/C16H22N2O2/c19-15-8-6-12(7-9-15)17-13-2-1-3-14(10-13)18-16(20)11-4-5-11/h1-3,10-12,15,17,19H,4-9H2,(H,18,20)
InChIKeyMDFQOUXRPIEBPW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.75
Rot. Bonds4

About N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide

N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 106593465) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide
PubChem CID106593465
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NC2CCC(O)CC2)c1)C1CC1
InChIInChI=1S/C16H22N2O2/c19-15-8-6-12(7-9-15)17-13-2-1-3-14(10-13)18-16(20)11-4-5-11/h1-3,10-12,15,17,19H,4-9H2,(H,18,20)
InChIKeyMDFQOUXRPIEBPW-UHFFFAOYSA-N
XLogP2.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
N-[3-[(4-hydroxycyclohexyl)amino]phenyl]propanamide
CID 106593504
N-[3-[(3-aminocyclopentyl)amino]phenyl]cyclopropanecarboxamide
CID 79462712
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-(3-formamidophenyl)cyclopropanecarboxamide
CID 64991224
N-[3-(thiane-4-carbonylamino)phenyl]thiane-4-carboxamide
CID 171577086
(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide
CID 95629895
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 45365632
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide (CID 106593465) is N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(NC2CCC(O)CC2)c1)C1CC1.
What is the InChIKey of N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is MDFQOUXRPIEBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-8-6-12(7-9-15)17-13-2-1-3-14(10-13)18-16(20)11-4-5-11/h1-3,10-12,15,17,19H,4-9H2,(H,18,20).
What are the key properties of N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide?
N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 106593465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).