5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide

C16H31N3O2 — CID 102706891

IUPAC5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CC(N)C(C)CC1C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H31N3O2/c1-9-7-10(2)13(17)8-12(9)15(21)18-11(3)14(20)19-16(4,5)6/h9-13H,7-8,17H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyRPDGUJSFIZMFDY-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.42
Rot. Bonds3

About 5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide

5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide (PubChem CID 102706891) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
PubChem CID102706891
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CC(N)C(C)CC1C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H31N3O2/c1-9-7-10(2)13(17)8-12(9)15(21)18-11(3)14(20)19-16(4,5)6/h9-13H,7-8,17H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyRPDGUJSFIZMFDY-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706911
5-amino-2,4-dimethyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 102706892
5-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706894
5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706633
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 112701696
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633
5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide
CID 102706657
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
CID 47798207
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706782
trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 127011730
5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 102706702
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide (CID 102706891) is 5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide is CC(NC(=O)C1CC(N)C(C)CC1C)C(=O)NC(C)(C)C.
What is the InChIKey of 5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is RPDGUJSFIZMFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-9-7-10(2)13(17)8-12(9)15(21)18-11(3)14(20)19-16(4,5)6/h9-13H,7-8,17H2,1-6H3,(H,18,21)(H,19,20).
What are the key properties of 5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide?
5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).