N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide

C23H45NO6 — CID 155739597

IUPACN-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
SMILESCC(C)OCCCCCCCCC(=O)NCCOCCOCCOCC(=O)C(C)C
InChIInChI=1S/C23H45NO6/c1-20(2)22(25)19-29-18-17-28-16-15-27-14-12-24-23(26)11-9-7-5-6-8-10-13-30-21(3)4/h20-21H,5-19H2,1-4H3,(H,24,26)
InChIKeyDWSBRUMOYXIJPU-UHFFFAOYSA-N
MW431.61 g/mol
LogP3.53
Rot. Bonds22

About N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide

N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide (PubChem CID 155739597) has the molecular formula C23H45NO6 and a molecular weight of 431.61 g/mol. Its IUPAC name is N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
PubChem CID155739597
Molecular FormulaC23H45NO6
Molecular Weight431.61 g/mol
Exact Mass431.32
IUPAC NameN-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
SMILESCC(C)OCCCCCCCCC(=O)NCCOCCOCCOCC(=O)C(C)C
InChIInChI=1S/C23H45NO6/c1-20(2)22(25)19-29-18-17-28-16-15-27-14-12-24-23(26)11-9-7-5-6-8-10-13-30-21(3)4/h20-21H,5-19H2,1-4H3,(H,24,26)
InChIKeyDWSBRUMOYXIJPU-UHFFFAOYSA-N
XLogP3.53
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.61
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
CID 155740333
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
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
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-11-[methylsulfanyl(propan-2-yl)amino]undecanamide
CID 170039668
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
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
formaldehyde;methanol;18-[[4-[4-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylcarbamoylamino]butylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 177199297
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide?
The IUPAC name of N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide (CID 155739597) is N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide.
What is the SMILES notation for N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide?
The canonical SMILES for N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide is CC(C)OCCCCCCCCC(=O)NCCOCCOCCOCC(=O)C(C)C.
What is the InChIKey of N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide?
The InChIKey is DWSBRUMOYXIJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO6/c1-20(2)22(25)19-29-18-17-28-16-15-27-14-12-24-23(26)11-9-7-5-6-8-10-13-30-21(3)4/h20-21H,5-19H2,1-4H3,(H,24,26).
What are the key properties of N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide?
N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide has a molecular weight of 431.61 g/mol, XLogP of 3.53, 22 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide is sourced from PubChem (CID 155739597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).