3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide

C18H28N2O — CID 119795534

IUPAC3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCc1ccc(CC(C)N(C)C(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C18H28N2O/c1-13-7-9-15(10-8-13)11-14(2)20(3)18(21)16-5-4-6-17(19)12-16/h7-10,14,16-17H,4-6,11-12,19H2,1-3H3
InChIKeyCGEHFLPRFMALBK-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.90
Rot. Bonds4

About 3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide

3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide (PubChem CID 119795534) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide
PubChem CID119795534
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCc1ccc(CC(C)N(C)C(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C18H28N2O/c1-13-7-9-15(10-8-13)11-14(2)20(3)18(21)16-5-4-6-17(19)12-16/h7-10,14,16-17H,4-6,11-12,19H2,1-3H3
InChIKeyCGEHFLPRFMALBK-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide (CID 119795534) is 3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide is Cc1ccc(CC(C)N(C)C(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is CGEHFLPRFMALBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-7-9-15(10-8-13)11-14(2)20(3)18(21)16-5-4-6-17(19)12-16/h7-10,14,16-17H,4-6,11-12,19H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide?
3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119795534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).