2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide

C26H53N3O4 — CID 170010587

IUPAC2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide
SMILESCNC(=O)CCC(C)(C)OCCC(C)(C)NC(=O)C(C)(C)CCOC(C)(C)CCNC(C)C
InChIInChI=1S/C26H53N3O4/c1-20(2)28-17-14-26(9,10)32-18-15-23(3,4)22(31)29-24(5,6)16-19-33-25(7,8)13-12-21(30)27-11/h20,28H,12-19H2,1-11H3,(H,27,30)(H,29,31)
InChIKeyMQFVUMURNUPIHV-UHFFFAOYSA-N
MW471.73 g/mol
LogP4.19
Rot. Bonds17

About 2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide

2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide (PubChem CID 170010587) has the molecular formula C26H53N3O4 and a molecular weight of 471.73 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide
PubChem CID170010587
Molecular FormulaC26H53N3O4
Molecular Weight471.73 g/mol
Exact Mass471.40
IUPAC Name2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide
SMILESCNC(=O)CCC(C)(C)OCCC(C)(C)NC(=O)C(C)(C)CCOC(C)(C)CCNC(C)C
InChIInChI=1S/C26H53N3O4/c1-20(2)28-17-14-26(9,10)32-18-15-23(3,4)22(31)29-24(5,6)16-19-33-25(7,8)13-12-21(30)27-11/h20,28H,12-19H2,1-11H3,(H,27,30)(H,29,31)
InChIKeyMQFVUMURNUPIHV-UHFFFAOYSA-N
XLogP4.19
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.73
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide
CID 156817336
2,2-dimethyl-N-(3-methylbutan-2-yl)-4-[2-methyl-4-[3-[[5-(methylamino)-5-oxopentan-2-yl]disulfanyl]propanoylamino]butan-2-yl]oxybutanamide
CID 178093784
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide
CID 143771811
2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
CID 162756506
4-[2-(1-acetamido-2-methylpropan-2-yl)oxyethoxy]-N,4-dimethylpentanamide
CID 143599719
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
tert-butyl N-[2-methyl-4-[2-methyl-5-[[3-methyl-3-[3-methyl-3-(propanoylamino)butoxy]butyl]amino]-5-oxopentan-2-yl]oxybutan-2-yl]carbamate
CID 170128014
[2-methyl-4-[2-methyl-5-(4-methylpent-2-ynylamino)-5-oxopentan-2-yl]oxybutan-2-yl]carbamothioic S-acid
CID 138568254
4-(2,3-dimethylbutan-2-yloxy)-2,2-dimethyl-N-(2,4,4,5-tetramethylhexan-2-yl)butanamide
CID 170094257
2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide
CID 172602407
3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide
CID 167281122

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide?
The IUPAC name of 2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide (CID 170010587) is 2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide is CNC(=O)CCC(C)(C)OCCC(C)(C)NC(=O)C(C)(C)CCOC(C)(C)CCNC(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide?
The InChIKey is MQFVUMURNUPIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53N3O4/c1-20(2)28-17-14-26(9,10)32-18-15-23(3,4)22(31)29-24(5,6)16-19-33-25(7,8)13-12-21(30)27-11/h20,28H,12-19H2,1-11H3,(H,27,30)(H,29,31).
What are the key properties of 2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide?
2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide has a molecular weight of 471.73 g/mol, XLogP of 4.19, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-methyl-4-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]oxybutan-2-yl]-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutanamide is sourced from PubChem (CID 170010587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).