N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride

C20H39ClN4O4 — CID 67499346

IUPACN-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride
SMILESCCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C20H38N4O4.ClH/c1-3-5-7-21(19(25)23-11-15-27-16-12-23)9-10-22(8-6-4-2)20(26)24-13-17-28-18-14-24;/h3-18H2,1-2H3;1H
InChIKeyMLROHDBWHFZZLO-UHFFFAOYSA-N
MW435.01 g/mol
LogP2.52
Rot. Bonds9

About N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride

N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride (PubChem CID 67499346) has the molecular formula C20H39ClN4O4 and a molecular weight of 435.01 g/mol. Its IUPAC name is N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride
PubChem CID67499346
Molecular FormulaC20H39ClN4O4
Molecular Weight435.01 g/mol
Exact Mass434.27
IUPAC NameN-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride
SMILESCCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C20H38N4O4.ClH/c1-3-5-7-21(19(25)23-11-15-27-16-12-23)9-10-22(8-6-4-2)20(26)24-13-17-28-18-14-24;/h3-18H2,1-2H3;1H
InChIKeyMLROHDBWHFZZLO-UHFFFAOYSA-N
XLogP2.52
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.01
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimorpholamine
CID 3091
N,N-dimethyl-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 2147557
N,N-diethyl-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 1094968
(4-Ethylpiperazin-1-yl)(morpholin-4-yl)methanone
CID 3148015
[3-Methyl-4-(morpholine-4-carbonyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 2930099
N-[3-(diethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 172435170
(4-Methylpiperazin-1-yl)(morpholin-4-yl)methanone
CID 735602
1-Methyl-3,3-bis(morpholin-4-ylmethyl)-1-propylurea
CID 54237580
(3-Morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 126752736
Ethane;(4-methylpiperazin-1-yl)-morpholin-4-ylmethanone
CID 144937345
(4-Methylpiperazin-1-yl)-morpholin-4-ylmethanone;propane
CID 145514082
Ethane;morpholin-4-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 157858996

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride?
The IUPAC name of N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride (CID 67499346) is N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride is CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1.Cl.
What is the InChIKey of N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride?
The InChIKey is MLROHDBWHFZZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O4.ClH/c1-3-5-7-21(19(25)23-11-15-27-16-12-23)9-10-22(8-6-4-2)20(26)24-13-17-28-18-14-24;/h3-18H2,1-2H3;1H.
What are the key properties of N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride?
N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride has a molecular weight of 435.01 g/mol, XLogP of 2.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide;hydrochloride is sourced from PubChem (CID 67499346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).