4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide

C17H26N2O2 — CID 61212060

IUPAC4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
SMILESCC(C)Oc1cccc(CNC2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)21-16-5-3-4-13(10-16)11-19-15-8-6-14(7-9-15)17(18)20/h3-5,10,12,14-15,19H,6-9,11H2,1-2H3,(H2,18,20)
InChIKeyLSUJNIPCXIOTFA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.61
Rot. Bonds6

About 4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide

4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide (PubChem CID 61212060) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
PubChem CID61212060
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
SMILESCC(C)Oc1cccc(CNC2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)21-16-5-3-4-13(10-16)11-19-15-8-6-14(7-9-15)17(18)20/h3-5,10,12,14-15,19H,6-9,11H2,1-2H3,(H2,18,20)
InChIKeyLSUJNIPCXIOTFA-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(cyanomethoxy)phenyl]methylamino]cyclohexane-1-carboxamide
CID 43791650
2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide
CID 55131413
3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide
CID 43278513
2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119114791
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine
CID 103887972

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide (CID 61212060) is 4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide is CC(C)Oc1cccc(CNC2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is LSUJNIPCXIOTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)21-16-5-3-4-13(10-16)11-19-15-8-6-14(7-9-15)17(18)20/h3-5,10,12,14-15,19H,6-9,11H2,1-2H3,(H2,18,20).
What are the key properties of 4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide?
4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 61212060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).