N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide

C24H48N2O4S — CID 170039668

IUPACN-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide
SMILESCSN(CCCCCCCCCCC(=O)NCCOCCOCC(=O)C(C)C)C(C)C
InChIInChI=1S/C24H48N2O4S/c1-21(2)23(27)20-30-19-18-29-17-15-25-24(28)14-12-10-8-6-7-9-11-13-16-26(31-5)22(3)4/h21-22H,6-20H2,1-5H3,(H,25,28)
InChIKeyWGBGGHYZEQTSOZ-UHFFFAOYSA-N
MW460.73 g/mol
LogP4.86
Rot. Bonds22

About N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide

N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide (PubChem CID 170039668) has the molecular formula C24H48N2O4S and a molecular weight of 460.73 g/mol. Its IUPAC name is N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide.

Molecular Properties

Compound NameN-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide
PubChem CID170039668
Molecular FormulaC24H48N2O4S
Molecular Weight460.73 g/mol
Exact Mass460.33
IUPAC NameN-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide
SMILESCSN(CCCCCCCCCCC(=O)NCCOCCOCC(=O)C(C)C)C(C)C
InChIInChI=1S/C24H48N2O4S/c1-21(2)23(27)20-30-19-18-29-17-15-25-24(28)14-12-10-8-6-7-9-11-13-16-26(31-5)22(3)4/h21-22H,6-20H2,1-5H3,(H,25,28)
InChIKeyWGBGGHYZEQTSOZ-UHFFFAOYSA-N
XLogP4.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.73
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 137432077
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide
CID 170116965
3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
CID 170583801
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
formaldehyde;methanol;18-[[4-[4-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylcarbamoylamino]butylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 177199297
3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(3-methyl-2-oxobutoxy)ethyl]propanamide
CID 170223089
14-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-14-oxotetradecanoic acid
CID 134266684
ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide
CID 169159646
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 163401188

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide?
The IUPAC name of N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide (CID 170039668) is N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide.
What is the SMILES notation for N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide?
The canonical SMILES for N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide is CSN(CCCCCCCCCCC(=O)NCCOCCOCC(=O)C(C)C)C(C)C.
What is the InChIKey of N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide?
The InChIKey is WGBGGHYZEQTSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O4S/c1-21(2)23(27)20-30-19-18-29-17-15-25-24(28)14-12-10-8-6-7-9-11-13-16-26(31-5)22(3)4/h21-22H,6-20H2,1-5H3,(H,25,28).
What are the key properties of N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide?
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide has a molecular weight of 460.73 g/mol, XLogP of 4.86, 22 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide is sourced from PubChem (CID 170039668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).