2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide

C12H24N2O3 — CID 66165558

IUPAC2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide
SMILESCOC(OC)C(C)(NC1CCCCC1)C(N)=O
InChIInChI=1S/C12H24N2O3/c1-12(10(13)15,11(16-2)17-3)14-9-7-5-4-6-8-9/h9,11,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyPSLQBXMIAJUXLE-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.77
Rot. Bonds6

About 2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide

2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide (PubChem CID 66165558) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide
PubChem CID66165558
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide
SMILESCOC(OC)C(C)(NC1CCCCC1)C(N)=O
InChIInChI=1S/C12H24N2O3/c1-12(10(13)15,11(16-2)17-3)14-9-7-5-4-6-8-9/h9,11,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyPSLQBXMIAJUXLE-UHFFFAOYSA-N
XLogP0.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide
CID 66178852
2-(cyclopentylamino)-4-methoxy-2,4-dimethylpentanamide
CID 54894509
2-(cyclopentylamino)-2,3-dimethylbutanoic acid
CID 62488797
(2S)-2-cyclohexyl-2-(cyclopropylamino)propanamide
CID 93404423
2-(cyclohexylamino)-2-(2-methoxy-5-methylphenyl)propanamide
CID 60998168
3,3-dimethoxy-2-methyl-2-(2-methylpropylamino)propanamide
CID 66165549
3-(cyclopentylamino)-2,2-dimethylpropanamide
CID 103617377
methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 134952784
methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 122389974
2-(cycloheptylamino)-2-phenylpropanamide
CID 54892648
(2S)-2-(cycloheptylamino)propanamide
CID 93300220
2-(cyclopentylamino)-2-ethyl-3-methylbutanamide
CID 61002812

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide?
The IUPAC name of 2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide (CID 66165558) is 2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide.
What is the SMILES notation for 2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide?
The canonical SMILES for 2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide is COC(OC)C(C)(NC1CCCCC1)C(N)=O.
What is the InChIKey of 2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide?
The InChIKey is PSLQBXMIAJUXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(10(13)15,11(16-2)17-3)14-9-7-5-4-6-8-9/h9,11,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide?
2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide has a molecular weight of 244.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide is sourced from PubChem (CID 66165558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).