2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide

C12H24N2O3 — CID 66178852

IUPAC2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide
SMILESCOC(CC(C)(NC1CCCC1)C(N)=O)OC
InChIInChI=1S/C12H24N2O3/c1-12(11(13)15,8-10(16-2)17-3)14-9-6-4-5-7-9/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyYUAXHNOMLSCXRH-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.77
Rot. Bonds7

About 2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide

2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide (PubChem CID 66178852) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide
PubChem CID66178852
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide
SMILESCOC(CC(C)(NC1CCCC1)C(N)=O)OC
InChIInChI=1S/C12H24N2O3/c1-12(11(13)15,8-10(16-2)17-3)14-9-6-4-5-7-9/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyYUAXHNOMLSCXRH-UHFFFAOYSA-N
XLogP0.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-methoxy-2,4-dimethylpentanamide
CID 54894509
2-N-cyclopentyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
CID 66179630
2-(cyclohexylamino)-3,3-dimethoxy-2-methylpropanamide
CID 66165558
2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
CID 66179237
4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide
CID 66178652
2-amino-4,4-dimethoxy-2-methylbutanamide
CID 66180029
2-(cycloheptylamino)-6,6,6-trifluoro-2-methylhexanamide
CID 116535495
2-(cycloheptylamino)-2-methylnonanamide
CID 60998647
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 115561436
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
2-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
CID 66178459
2-(cyclopropylamino)-2-methyl-4-phenoxypentanamide
CID 64706033

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide?
The IUPAC name of 2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide (CID 66178852) is 2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide.
What is the SMILES notation for 2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide?
The canonical SMILES for 2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide is COC(CC(C)(NC1CCCC1)C(N)=O)OC.
What is the InChIKey of 2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide?
The InChIKey is YUAXHNOMLSCXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(11(13)15,8-10(16-2)17-3)14-9-6-4-5-7-9/h9-10,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide?
2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide has a molecular weight of 244.33 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide is sourced from PubChem (CID 66178852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).