2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide

C29H58N4O3 — CID 57112037

IUPAC2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCON(C=O)N(C)C
InChIInChI=1S/C29H58N4O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-30-29(35)32-25-21-19-22-28(32)23-26-36-33(27-34)31(2)3/h27-28H,4-26H2,1-3H3,(H,30,35)
InChIKeyMZUPGRTYVOGEJD-UHFFFAOYSA-N
MW510.81 g/mol
LogP7.07
Rot. Bonds23

About 2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide

2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide (PubChem CID 57112037) has the molecular formula C29H58N4O3 and a molecular weight of 510.81 g/mol. Its IUPAC name is 2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide
PubChem CID57112037
Molecular FormulaC29H58N4O3
Molecular Weight510.81 g/mol
Exact Mass510.45
IUPAC Name2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCON(C=O)N(C)C
InChIInChI=1S/C29H58N4O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-30-29(35)32-25-21-19-22-28(32)23-26-36-33(27-34)31(2)3/h27-28H,4-26H2,1-3H3,(H,30,35)
InChIKeyMZUPGRTYVOGEJD-UHFFFAOYSA-N
XLogP7.07
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.81
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-(dimethylamino)propylcarbamoyl]piperidin-2-yl]ethyl N-octadecylcarbamate
CID 18789453
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate
CID 18789468
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(5-pyrrolidin-1-ylpentyl)carbamate
CID 18789458
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-[3-(2-hydroxypyrrolidin-1-yl)propyl]carbamate
CID 142636015
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
octadecyl 2-[2-[3-(dimethylamino)propylcarbamoyloxy]ethyl]piperidine-1-carboxylate;hydrochloride
CID 18789378
2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
CID 54170141
3-(dimethylamino)propyl 2-[2-(octadecylamino)ethyl]piperidine-1-carboxylate
CID 18789477
[1-(octadecylcarbamoyl)piperidin-2-yl]methyl N-(2-morpholin-4-ylethyl)carbamate
CID 151563787
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841

Frequently Asked Questions

What is the IUPAC name of 2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide?
The IUPAC name of 2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide (CID 57112037) is 2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide.
What is the SMILES notation for 2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide?
The canonical SMILES for 2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCON(C=O)N(C)C.
What is the InChIKey of 2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide?
The InChIKey is MZUPGRTYVOGEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N4O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-30-29(35)32-25-21-19-22-28(32)23-26-36-33(27-34)31(2)3/h27-28H,4-26H2,1-3H3,(H,30,35).
What are the key properties of 2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide?
2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide has a molecular weight of 510.81 g/mol, XLogP of 7.07, 23 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[dimethylamino(formyl)amino]oxyethyl]-N-octadecylpiperidine-1-carboxamide is sourced from PubChem (CID 57112037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).