N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide

C18H38N4O3 — CID 129288682

IUPACN-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide
SMILESCNCCNCC(=O)CCC(=O)NC(C)(C)CCOC(C)(C)CCN
InChIInChI=1S/C18H38N4O3/c1-17(2,9-13-25-18(3,4)8-10-19)22-16(24)7-6-15(23)14-21-12-11-20-5/h20-21H,6-14,19H2,1-5H3,(H,22,24)
InChIKeyCFBYSBJKISMNFG-UHFFFAOYSA-N
MW358.53 g/mol
LogP0.57
Rot. Bonds15

About N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide

N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide (PubChem CID 129288682) has the molecular formula C18H38N4O3 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide
PubChem CID129288682
Molecular FormulaC18H38N4O3
Molecular Weight358.53 g/mol
Exact Mass358.29
IUPAC NameN-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide
SMILESCNCCNCC(=O)CCC(=O)NC(C)(C)CCOC(C)(C)CCN
InChIInChI=1S/C18H38N4O3/c1-17(2,9-13-25-18(3,4)8-10-19)22-16(24)7-6-15(23)14-21-12-11-20-5/h20-21H,6-14,19H2,1-5H3,(H,22,24)
InChIKeyCFBYSBJKISMNFG-UHFFFAOYSA-N
XLogP0.57
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide
CID 156817336
4-methyl-4-[3-methyl-3-(pent-4-ynoylamino)butoxy]pentanoic acid
CID 145419739
4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane
CID 155698441
5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
CID 90800865
6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide
CID 167239667
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide
CID 155571740
N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide
CID 145419732
N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
CID 129027495
[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
CID 175166936
3-[3-(2-aminoethoxy)-3-methylbutoxy]-N,3-dimethylbutan-1-amine;propanal
CID 145317497
N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
CID 143784438

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide?
The IUPAC name of N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide (CID 129288682) is N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide.
What is the SMILES notation for N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide?
The canonical SMILES for N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide is CNCCNCC(=O)CCC(=O)NC(C)(C)CCOC(C)(C)CCN.
What is the InChIKey of N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide?
The InChIKey is CFBYSBJKISMNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O3/c1-17(2,9-13-25-18(3,4)8-10-19)22-16(24)7-6-15(23)14-21-12-11-20-5/h20-21H,6-14,19H2,1-5H3,(H,22,24).
What are the key properties of N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide?
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide has a molecular weight of 358.53 g/mol, XLogP of 0.57, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide is sourced from PubChem (CID 129288682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).