1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide

C18H28N2O — CID 64584223

IUPAC1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide
SMILESCCCCN(C(=O)C1(N)CCCC(C)C1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-3-4-13-20(16-10-6-5-7-11-16)17(21)18(19)12-8-9-15(2)14-18/h5-7,10-11,15H,3-4,8-9,12-14,19H2,1-2H3
InChIKeyXSYYCDJVHHVNFD-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.73
Rot. Bonds5

About 1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide

1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide (PubChem CID 64584223) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide
PubChem CID64584223
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide
SMILESCCCCN(C(=O)C1(N)CCCC(C)C1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-3-4-13-20(16-10-6-5-7-11-16)17(21)18(19)12-8-9-15(2)14-18/h5-7,10-11,15H,3-4,8-9,12-14,19H2,1-2H3
InChIKeyXSYYCDJVHHVNFD-UHFFFAOYSA-N
XLogP3.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide (CID 64584223) is 1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide is CCCCN(C(=O)C1(N)CCCC(C)C1)c1ccccc1.
What is the InChIKey of 1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide?
The InChIKey is XSYYCDJVHHVNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-4-13-20(16-10-6-5-7-11-16)17(21)18(19)12-8-9-15(2)14-18/h5-7,10-11,15H,3-4,8-9,12-14,19H2,1-2H3.
What are the key properties of 1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide?
1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 64584223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).