N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C21H32N2O2 — CID 53345814

IUPACN-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)Nc2ccc(CCCC(N)=O)cc2)C1
InChIInChI=1S/C21H32N2O2/c1-14(2)18-12-7-15(3)13-19(18)21(25)23-17-10-8-16(9-11-17)5-4-6-20(22)24/h8-11,14-15,18-19H,4-7,12-13H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyWUTNCWWKKBOBKL-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.14
Rot. Bonds7

About N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 53345814) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID53345814
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)Nc2ccc(CCCC(N)=O)cc2)C1
InChIInChI=1S/C21H32N2O2/c1-14(2)18-12-7-15(3)13-19(18)21(25)23-17-10-8-16(9-11-17)5-4-6-20(22)24/h8-11,14-15,18-19H,4-7,12-13H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyWUTNCWWKKBOBKL-UHFFFAOYSA-N
XLogP4.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]butanamide
CID 58384227
4-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]butanamide;1-[4-[2-(5-methyl-2-propan-2-ylcyclohexyl)-2-oxoethyl]phenyl]propan-2-one
CID 161107580
N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079948
trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 67477177
(1R,2S,5R)-N-[4-(cyanomethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;2-(4-iodophenyl)acetonitrile;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbonyl chloride;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 159062804
5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 59861681
(1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 51802099
2-[4-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]phenyl]acetamide
CID 160838676
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
N-(3-hydroxy-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 50906370
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66761959
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 53345814) is N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)Nc2ccc(CCCC(N)=O)cc2)C1.
What is the InChIKey of N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is WUTNCWWKKBOBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-14(2)18-12-7-15(3)13-19(18)21(25)23-17-10-8-16(9-11-17)5-4-6-20(22)24/h8-11,14-15,18-19H,4-7,12-13H2,1-3H3,(H2,22,24)(H,23,25).
What are the key properties of N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 53345814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).