4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide

C11H24N2O3 — CID 66178652

IUPAC4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide
SMILESCOC(CC(C)(NCC(C)C)C(N)=O)OC
InChIInChI=1S/C11H24N2O3/c1-8(2)7-13-11(3,10(12)14)6-9(15-4)16-5/h8-9,13H,6-7H2,1-5H3,(H2,12,14)
InChIKeyNFNPVOXQDHKKJC-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.49
Rot. Bonds8

About 4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide

4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide (PubChem CID 66178652) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide.

Molecular Properties

Compound Name4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide
PubChem CID66178652
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide
SMILESCOC(CC(C)(NCC(C)C)C(N)=O)OC
InChIInChI=1S/C11H24N2O3/c1-8(2)7-13-11(3,10(12)14)6-9(15-4)16-5/h8-9,13H,6-7H2,1-5H3,(H2,12,14)
InChIKeyNFNPVOXQDHKKJC-UHFFFAOYSA-N
XLogP0.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.49
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-[2-(dimethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
CID 66178459
2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
CID 66180822
3,3-dimethoxy-2-methyl-2-(2-methylpropylamino)propanamide
CID 66165549
2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide
CID 66178852
2-amino-4,4-dimethoxy-2-methylbutanamide
CID 66180029
ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate
CID 61001690
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide
CID 66181212
(2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide
CID 95636090
2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509
(2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide
CID 124873038
4-(4-hydroxyphenyl)-2-methyl-2-(2-methylpropylamino)butanamide
CID 54892341

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide?
The IUPAC name of 4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide (CID 66178652) is 4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide.
What is the SMILES notation for 4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide?
The canonical SMILES for 4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide is COC(CC(C)(NCC(C)C)C(N)=O)OC.
What is the InChIKey of 4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide?
The InChIKey is NFNPVOXQDHKKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-8(2)7-13-11(3,10(12)14)6-9(15-4)16-5/h8-9,13H,6-7H2,1-5H3,(H2,12,14).
What are the key properties of 4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide?
4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide has a molecular weight of 232.32 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide is sourced from PubChem (CID 66178652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).