2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide

C25H29N3O3 — CID 55759392

IUPAC2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2ccccc2N(C)c2ccccc2)N2CCOCC2)o1
InChIInChI=1S/C25H29N3O3/c1-19-12-13-24(31-19)23(28-14-16-30-17-15-28)18-26-25(29)21-10-6-7-11-22(21)27(2)20-8-4-3-5-9-20/h3-13,23H,14-18H2,1-2H3,(H,26,29)
InChIKeyUTBAFQDHRGIWQB-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.16
Rot. Bonds7

About 2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide

2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 55759392) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID55759392
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2ccccc2N(C)c2ccccc2)N2CCOCC2)o1
InChIInChI=1S/C25H29N3O3/c1-19-12-13-24(31-19)23(28-14-16-30-17-15-28)18-26-25(29)21-10-6-7-11-22(21)27(2)20-8-4-3-5-9-20/h3-13,23H,14-18H2,1-2H3,(H,26,29)
InChIKeyUTBAFQDHRGIWQB-UHFFFAOYSA-N
XLogP4.16
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 55519541
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenoxypropanamide
CID 95577240
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
CID 24643832
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55519542
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168876
1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 78879846
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 125446463

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide (CID 55759392) is 2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide is Cc1ccc(C(CNC(=O)c2ccccc2N(C)c2ccccc2)N2CCOCC2)o1.
What is the InChIKey of 2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is UTBAFQDHRGIWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-19-12-13-24(31-19)23(28-14-16-30-17-15-28)18-26-25(29)21-10-6-7-11-22(21)27(2)20-8-4-3-5-9-20/h3-13,23H,14-18H2,1-2H3,(H,26,29).
What are the key properties of 2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 55759392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).