2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide

C21H26N4O5 — CID 55888356

IUPAC2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(C)o1
InChIInChI=1S/C21H26N4O5/c1-14-11-18(15(2)30-14)21(28)22-12-19(26)23-16-3-5-17(6-4-16)24-20(27)13-25-7-9-29-10-8-25/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27)
InChIKeyZMCHOCOJMCBEFC-UHFFFAOYSA-N
MW414.46 g/mol
LogP1.54
Rot. Bonds7

About 2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 55888356) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide
PubChem CID55888356
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(C)o1
InChIInChI=1S/C21H26N4O5/c1-14-11-18(15(2)30-14)21(28)22-12-19(26)23-16-3-5-17(6-4-16)24-20(27)13-25-7-9-29-10-8-25/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27)
InChIKeyZMCHOCOJMCBEFC-UHFFFAOYSA-N
XLogP1.54
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide with MolForge

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Related Compounds

2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide
CID 86822812
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 56502731
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide
CID 48500676
N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55914707
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2,4-dichloro-N-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]benzamide
CID 108754497
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55941741

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide (CID 55888356) is 2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide is Cc1cc(C(=O)NCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is ZMCHOCOJMCBEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-14-11-18(15(2)30-14)21(28)22-12-19(26)23-16-3-5-17(6-4-16)24-20(27)13-25-7-9-29-10-8-25/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27).
What are the key properties of 2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 55888356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).