ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide

C23H51N3O3 — CID 156817336

IUPACethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide
SMILESCC.CC.CNC(=O)CNCCC(C)(C)OCCC(C)(C)NC(=O)CCC(C)C
InChIInChI=1S/C19H39N3O3.2C2H6/c1-15(2)8-9-16(23)22-18(3,4)11-13-25-19(5,6)10-12-21-14-17(24)20-7;2*1-2/h15,21H,8-14H2,1-7H3,(H,20,24)(H,22,23);2*1-2H3
InChIKeyHYRWKWSBTXBAGE-UHFFFAOYSA-N
MW417.68 g/mol
LogP4.28
Rot. Bonds13

About ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide

ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide (PubChem CID 156817336) has the molecular formula C23H51N3O3 and a molecular weight of 417.68 g/mol. Its IUPAC name is ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide.

Molecular Properties

Compound Nameethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide
PubChem CID156817336
Molecular FormulaC23H51N3O3
Molecular Weight417.68 g/mol
Exact Mass417.39
IUPAC Nameethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide
SMILESCC.CC.CNC(=O)CNCCC(C)(C)OCCC(C)(C)NC(=O)CCC(C)C
InChIInChI=1S/C19H39N3O3.2C2H6/c1-15(2)8-9-16(23)22-18(3,4)11-13-25-19(5,6)10-12-21-14-17(24)20-7;2*1-2/h15,21H,8-14H2,1-7H3,(H,20,24)(H,22,23);2*1-2H3
InChIKeyHYRWKWSBTXBAGE-UHFFFAOYSA-N
XLogP4.28
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.68
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide 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

N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide
CID 129288682
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
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide
CID 134502890
N-[3-(aminomethoxy)-3-methylbutyl]-4-methylpentanamide
CID 138462196
N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetamide
CID 112588757
4-methyl-4-[3-methyl-3-(pent-4-ynoylamino)butoxy]pentanoic acid
CID 145419739
N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide
CID 145419732
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410
3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide
CID 167281122

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide?
The IUPAC name of ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide (CID 156817336) is ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide.
What is the SMILES notation for ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide?
The canonical SMILES for ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide is CC.CC.CNC(=O)CNCCC(C)(C)OCCC(C)(C)NC(=O)CCC(C)C.
What is the InChIKey of ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide?
The InChIKey is HYRWKWSBTXBAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O3.2C2H6/c1-15(2)8-9-16(23)22-18(3,4)11-13-25-19(5,6)10-12-21-14-17(24)20-7;2*1-2/h15,21H,8-14H2,1-7H3,(H,20,24)(H,22,23);2*1-2H3.
What are the key properties of ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide?
ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide has a molecular weight of 417.68 g/mol, XLogP of 4.28, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide is sourced from PubChem (CID 156817336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).