N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide

C16H24N2O2 — CID 106825950

IUPACN-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(OCCN)c2)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-16(8-3-2-4-9-16)15(19)18-13-6-5-7-14(12-13)20-11-10-17/h5-7,12H,2-4,8-11,17H2,1H3,(H,18,19)
InChIKeyZZZCLOUOVKPMLQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.93
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide

N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 106825950) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide
PubChem CID106825950
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(OCCN)c2)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-16(8-3-2-4-9-16)15(19)18-13-6-5-7-14(12-13)20-11-10-17/h5-7,12H,2-4,8-11,17H2,1H3,(H,18,19)
InChIKeyZZZCLOUOVKPMLQ-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844438
N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide
CID 65019096
4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
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3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
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1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
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N-[3-(3-aminoprop-1-ynyl)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106828219
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
N-[3-(2-aminoethoxy)phenyl]-4-ethylbenzamide
CID 43369477
1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide
CID 119303127
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
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N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
CID 82984960

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide (CID 106825950) is N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide is CC1(C(=O)Nc2cccc(OCCN)c2)CCCCC1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is ZZZCLOUOVKPMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(8-3-2-4-9-16)15(19)18-13-6-5-7-14(12-13)20-11-10-17/h5-7,12H,2-4,8-11,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide?
N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106825950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).