N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide

C21H40N2O5 — CID 170116965

IUPACN-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide
SMILESCC(C)NCCCC(=O)CCCCC(=O)NCCOCCOCC(=O)C(C)C
InChIInChI=1S/C21H40N2O5/c1-17(2)20(25)16-28-15-14-27-13-12-23-21(26)10-6-5-8-19(24)9-7-11-22-18(3)4/h17-18,22H,5-16H2,1-4H3,(H,23,26)
InChIKeyDRZWIPYJSKSELI-UHFFFAOYSA-N
MW400.56 g/mol
LogP2.27
Rot. Bonds19

About N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide

N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide (PubChem CID 170116965) has the molecular formula C21H40N2O5 and a molecular weight of 400.56 g/mol. Its IUPAC name is N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide.

Molecular Properties

Compound NameN-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide
PubChem CID170116965
Molecular FormulaC21H40N2O5
Molecular Weight400.56 g/mol
Exact Mass400.29
IUPAC NameN-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide
SMILESCC(C)NCCCC(=O)CCCCC(=O)NCCOCCOCC(=O)C(C)C
InChIInChI=1S/C21H40N2O5/c1-17(2)20(25)16-28-15-14-27-13-12-23-21(26)10-6-5-8-19(24)9-7-11-22-18(3)4/h17-18,22H,5-16H2,1-4H3,(H,23,26)
InChIKeyDRZWIPYJSKSELI-UHFFFAOYSA-N
XLogP2.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 137432077
N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
CID 170583801
3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
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
N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 167615688
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide
CID 170039668

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide?
The IUPAC name of N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide (CID 170116965) is N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide.
What is the SMILES notation for N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide?
The canonical SMILES for N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide is CC(C)NCCCC(=O)CCCCC(=O)NCCOCCOCC(=O)C(C)C.
What is the InChIKey of N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide?
The InChIKey is DRZWIPYJSKSELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O5/c1-17(2)20(25)16-28-15-14-27-13-12-23-21(26)10-6-5-8-19(24)9-7-11-22-18(3)4/h17-18,22H,5-16H2,1-4H3,(H,23,26).
What are the key properties of N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide?
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide has a molecular weight of 400.56 g/mol, XLogP of 2.27, 19 rotatable bonds, 2 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]-6-oxo-9-(propan-2-ylamino)nonanamide is sourced from PubChem (CID 170116965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).