2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide

C26H33FN4O5 — CID 42862635

IUPAC2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
SMILESCOc1cccc(NC(=O)N2CCOC(CN(CCN3CCOCC3)C(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C26H33FN4O5/c1-34-23-4-2-3-22(17-23)28-26(33)31-13-16-36-24(19-31)18-30(10-9-29-11-14-35-15-12-29)25(32)20-5-7-21(27)8-6-20/h2-8,17,24H,9-16,18-19H2,1H3,(H,28,33)
InChIKeyRFLYQNHEBXQECE-UHFFFAOYSA-N
MW500.57 g/mol
LogP2.54
Rot. Bonds8

About 2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide

2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide (PubChem CID 42862635) has the molecular formula C26H33FN4O5 and a molecular weight of 500.57 g/mol. Its IUPAC name is 2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
PubChem CID42862635
Molecular FormulaC26H33FN4O5
Molecular Weight500.57 g/mol
Exact Mass500.24
IUPAC Name2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
SMILESCOc1cccc(NC(=O)N2CCOC(CN(CCN3CCOCC3)C(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C26H33FN4O5/c1-34-23-4-2-3-22(17-23)28-26(33)31-13-16-36-24(19-31)18-30(10-9-29-11-14-35-15-12-29)25(32)20-5-7-21(27)8-6-20/h2-8,17,24H,9-16,18-19H2,1H3,(H,28,33)
InChIKeyRFLYQNHEBXQECE-UHFFFAOYSA-N
XLogP2.54
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.57
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide with MolForge

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Related Compounds

N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 46060405
3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861962
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46059905
(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 93338501
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 42861929
2-[[(3,4-dimethoxybenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060500
4-fluoro-N-[[4-(2-hydroxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862335
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46059920
2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862009
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46060357
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[(2R)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 92988261
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
The IUPAC name of 2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide (CID 42862635) is 2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
The canonical SMILES for 2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide is COc1cccc(NC(=O)N2CCOC(CN(CCN3CCOCC3)C(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of 2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
The InChIKey is RFLYQNHEBXQECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O5/c1-34-23-4-2-3-22(17-23)28-26(33)31-13-16-36-24(19-31)18-30(10-9-29-11-14-35-15-12-29)25(32)20-5-7-21(27)8-6-20/h2-8,17,24H,9-16,18-19H2,1H3,(H,28,33).
What are the key properties of 2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide?
2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide has a molecular weight of 500.57 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorobenzoyl)-(2-morpholin-4-ylethyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 42862635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).