N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide

C21H44N2O3 — CID 171659044

IUPACN-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCCCN(C)C)CC(COC)COC
InChIInChI=1S/C21H44N2O3/c1-6-7-8-9-10-11-14-21(24)23(16-13-12-15-22(2)3)17-20(18-25-4)19-26-5/h20H,6-19H2,1-5H3
InChIKeyILPWDIDVFOUFGG-UHFFFAOYSA-N
MW372.59 g/mol
LogP3.82
Rot. Bonds18

About N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide

N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide (PubChem CID 171659044) has the molecular formula C21H44N2O3 and a molecular weight of 372.59 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide
PubChem CID171659044
Molecular FormulaC21H44N2O3
Molecular Weight372.59 g/mol
Exact Mass372.34
IUPAC NameN-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCCCN(C)C)CC(COC)COC
InChIInChI=1S/C21H44N2O3/c1-6-7-8-9-10-11-14-21(24)23(16-13-12-15-22(2)3)17-20(18-25-4)19-26-5/h20H,6-19H2,1-5H3
InChIKeyILPWDIDVFOUFGG-UHFFFAOYSA-N
XLogP3.82
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 53.82
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

N-[3-(dimethylamino)propyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide
CID 171658647
N,N-bis[3-(dimethylamino)propyl]decanamide
CID 86204992
1-O-[2-[[3-(dimethylamino)propyl-octanoylamino]methyl]-3-(8-oxo-8-pentadecan-7-yloxyoctanoyl)oxypropyl] 8-O-pentadecan-7-yl octanedioate
CID 171658989
[2-[[[(Z)-dec-4-enoyl]-[3-(dimethylamino)propyl]amino]methyl]-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
CID 171658640
1-O-[2-[[4-(dimethylamino)butyl-nonanoylamino]methyl]-3-[(Z)-octadec-9-enoyl]oxypropyl] 8-O-heptadecan-9-yl octanedioate
CID 171658621
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N-butyl-N-octyldecanamide
CID 18913402
N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 22859448
N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682
N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide
CID 18999305

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide (CID 171659044) is N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide is CCCCCCCCC(=O)N(CCCCN(C)C)CC(COC)COC.
What is the InChIKey of N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide?
The InChIKey is ILPWDIDVFOUFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O3/c1-6-7-8-9-10-11-14-21(24)23(16-13-12-15-22(2)3)17-20(18-25-4)19-26-5/h20H,6-19H2,1-5H3.
What are the key properties of N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide?
N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide has a molecular weight of 372.59 g/mol, XLogP of 3.82, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-N-[3-methoxy-2-(methoxymethyl)propyl]nonanamide is sourced from PubChem (CID 171659044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).