N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide

C19H29N3O4 — CID 23557227

IUPACN,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide
SMILESCN(C)C(=O)CCC(=O)N(C)c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C19H29N3O4/c1-20(2)18(23)7-8-19(24)21(3)16-5-4-6-17(15-16)26-14-11-22-9-12-25-13-10-22/h4-6,15H,7-14H2,1-3H3
InChIKeyUBDNNJKCHWOIQL-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.23
Rot. Bonds8

About N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide

N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide (PubChem CID 23557227) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide
PubChem CID23557227
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide
SMILESCN(C)C(=O)CCC(=O)N(C)c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C19H29N3O4/c1-20(2)18(23)7-8-19(24)21(3)16-5-4-6-17(15-16)26-14-11-22-9-12-25-13-10-22/h4-6,15H,7-14H2,1-3H3
InChIKeyUBDNNJKCHWOIQL-UHFFFAOYSA-N
XLogP1.23
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
(NE)-N-[1-[3-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 43186630
3-(4-methylpyrazol-1-yl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626511
2-morpholin-4-ylethyl 2-(3-methoxyphenoxy)acetate;hydrochloride
CID 23620383
1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 91839442
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
4-[2-[3-(1-methylcyclopropyl)phenoxy]ethyl]morpholine
CID 143919423
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide?
The IUPAC name of N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide (CID 23557227) is N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide.
What is the SMILES notation for N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide?
The canonical SMILES for N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide is CN(C)C(=O)CCC(=O)N(C)c1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide?
The InChIKey is UBDNNJKCHWOIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-20(2)18(23)7-8-19(24)21(3)16-5-4-6-17(15-16)26-14-11-22-9-12-25-13-10-22/h4-6,15H,7-14H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide?
N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide has a molecular weight of 363.46 g/mol, XLogP of 1.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[3-(2-morpholin-4-ylethoxy)phenyl]butanediamide is sourced from PubChem (CID 23557227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).