N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide

C18H28N2O — CID 106826466

IUPACN-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide
SMILESCCNC(C)c1ccccc1NC(=O)C1(C)CCCCC1
InChIInChI=1S/C18H28N2O/c1-4-19-14(2)15-10-6-7-11-16(15)20-17(21)18(3)12-8-5-9-13-18/h6-7,10-11,14,19H,4-5,8-9,12-13H2,1-3H3,(H,20,21)
InChIKeyGNFPJOTWKQWHRA-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.27
Rot. Bonds5

About N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide

N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 106826466) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide
PubChem CID106826466
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide
SMILESCCNC(C)c1ccccc1NC(=O)C1(C)CCCCC1
InChIInChI=1S/C18H28N2O/c1-4-19-14(2)15-10-6-7-11-16(15)20-17(21)18(3)12-8-5-9-13-18/h6-7,10-11,14,19H,4-5,8-9,12-13H2,1-3H3,(H,20,21)
InChIKeyGNFPJOTWKQWHRA-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(ethylamino)ethyl]phenyl]cyclohexanecarboxamide
CID 43508004
N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide
CID 79157491
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea
CID 116658189
[2-[(1-methylcyclohexanecarbonyl)amino]phenyl]sulfanylformic acid
CID 166817254
S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 1-methylcyclohexane-1-carbothioate
CID 22956219
N-[2-(1-chloroethyl)phenyl]-1-ethylcyclopentane-1-carboxamide
CID 114304884
N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
CID 43508002
3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 63141010
N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827308
N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204
N-[2-[1-(ethylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272378

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide (CID 106826466) is N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide is CCNC(C)c1ccccc1NC(=O)C1(C)CCCCC1.
What is the InChIKey of N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is GNFPJOTWKQWHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-19-14(2)15-10-6-7-11-16(15)20-17(21)18(3)12-8-5-9-13-18/h6-7,10-11,14,19H,4-5,8-9,12-13H2,1-3H3,(H,20,21).
What are the key properties of N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide?
N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106826466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).