N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide

C24H48N2O4 — CID 604826

IUPACN-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide
SMILESCCCCCCCN(C)C(=O)COC(C)C(C)OCC(=O)N(C)CCCCCCC
InChIInChI=1S/C24H48N2O4/c1-7-9-11-13-15-17-25(5)23(27)19-29-21(3)22(4)30-20-24(28)26(6)18-16-14-12-10-8-2/h21-22H,7-20H2,1-6H3
InChIKeyHFODMFGNPSRMOH-UHFFFAOYSA-N
MW428.66 g/mol
LogP4.65
Rot. Bonds19

About N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide

N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide (PubChem CID 604826) has the molecular formula C24H48N2O4 and a molecular weight of 428.66 g/mol. Its IUPAC name is N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide.

Molecular Properties

Compound NameN-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide
PubChem CID604826
Molecular FormulaC24H48N2O4
Molecular Weight428.66 g/mol
Exact Mass428.36
IUPAC NameN-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide
SMILESCCCCCCCN(C)C(=O)COC(C)C(C)OCC(=O)N(C)CCCCCCC
InChIInChI=1S/C24H48N2O4/c1-7-9-11-13-15-17-25(5)23(27)19-29-21(3)22(4)30-20-24(28)26(6)18-16-14-12-10-8-2/h21-22H,7-20H2,1-6H3
InChIKeyHFODMFGNPSRMOH-UHFFFAOYSA-N
XLogP4.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.66
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
CID 61328408
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide
CID 175684944
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
propan-2-yl N-methyl-N-octylcarbamate
CID 166755395
propan-2-yl N-hexyl-N-methylcarbamate
CID 88569732
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-octan-2-yloxyacetamide
CID 43291335
ethyl N-methyl-N-octylcarbamate
CID 15790108
2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide
CID 546525
N-(5-hydroxyhexyl)-N-methyloctanamide
CID 143646438
2-methyl-4-[methyl(pentyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43437642

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide?
The IUPAC name of N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide (CID 604826) is N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide.
What is the SMILES notation for N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide?
The canonical SMILES for N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide is CCCCCCCN(C)C(=O)COC(C)C(C)OCC(=O)N(C)CCCCCCC.
What is the InChIKey of N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide?
The InChIKey is HFODMFGNPSRMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O4/c1-7-9-11-13-15-17-25(5)23(27)19-29-21(3)22(4)30-20-24(28)26(6)18-16-14-12-10-8-2/h21-22H,7-20H2,1-6H3.
What are the key properties of N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide?
N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide has a molecular weight of 428.66 g/mol, XLogP of 4.65, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide is sourced from PubChem (CID 604826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).