N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide

C16H30N2O2 — CID 40571304

IUPACN-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
SMILESCCC(=O)NC[C@@]1(C)C[C@H](NC(=O)CC)CC(C)(C)C1
InChIInChI=1S/C16H30N2O2/c1-6-13(19)17-11-16(5)9-12(18-14(20)7-2)8-15(3,4)10-16/h12H,6-11H2,1-5H3,(H,17,19)(H,18,20)/t12-,16+/m1/s1
InChIKeyIJUHYHSLALHRIK-WBMJQRKESA-N
MW282.43 g/mol
LogP2.62
Rot. Bonds5

About N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide

N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide (PubChem CID 40571304) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
PubChem CID40571304
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
SMILESCCC(=O)NC[C@@]1(C)C[C@H](NC(=O)CC)CC(C)(C)C1
InChIInChI=1S/C16H30N2O2/c1-6-13(19)17-11-16(5)9-12(18-14(20)7-2)8-15(3,4)10-16/h12H,6-11H2,1-5H3,(H,17,19)(H,18,20)/t12-,16+/m1/s1
InChIKeyIJUHYHSLALHRIK-WBMJQRKESA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 304852
N-(3-{[(cyclopentylcarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)cyclopentanecarboxamide
CID 2933083
2-methyl-N-({1,3,3-trimethyl-5-[(2-methylpropanoyl)amino]cyclohexyl}methyl)propanamide
CID 4122522
N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
CID 4189567
N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide
CID 164672971
2,2,2-trifluoro-N-({1,3,3-trimethyl-5-[(trifluoroacetyl)amino]cyclohexyl}methyl)acetamide
CID 2932402
3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide
CID 100643006
2,2,3,3,4,4,4-heptafluoro-N-(3-{[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]methyl}-3,5,5-trimethylcyclohexyl)butanamide
CID 4258742
fluoromethyl N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]carbamate
CID 57553317
3-fluoro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]propanamide
CID 57902249
fluoromethyl N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 59736335
N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide
CID 59970268

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide?
The IUPAC name of N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide (CID 40571304) is N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide.
What is the SMILES notation for N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide?
The canonical SMILES for N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide is CCC(=O)NC[C@@]1(C)C[C@H](NC(=O)CC)CC(C)(C)C1.
What is the InChIKey of N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide?
The InChIKey is IJUHYHSLALHRIK-WBMJQRKESA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-13(19)17-11-16(5)9-12(18-14(20)7-2)8-15(3,4)10-16/h12H,6-11H2,1-5H3,(H,17,19)(H,18,20)/t12-,16+/m1/s1.
What are the key properties of N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide?
N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide has a molecular weight of 282.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 40571304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).