N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide

C26H27N3O4 — CID 29357190

IUPACN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1
InChIInChI=1S/C26H27N3O4/c30-25(18-29-14-16-32-17-15-29)27-21-10-12-22(13-11-21)28-26(31)24-9-5-4-6-20(24)19-33-23-7-2-1-3-8-23/h1-13H,14-19H2,(H,27,30)(H,28,31)
InChIKeyKTQDUVFZWGBDHU-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.79
Rot. Bonds8

About N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide

N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide (PubChem CID 29357190) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide
PubChem CID29357190
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1
InChIInChI=1S/C26H27N3O4/c30-25(18-29-14-16-32-17-15-29)27-21-10-12-22(13-11-21)28-26(31)24-9-5-4-6-20(24)19-33-23-7-2-1-3-8-23/h1-13H,14-19H2,(H,27,30)(H,28,31)
InChIKeyKTQDUVFZWGBDHU-UHFFFAOYSA-N
XLogP3.79
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
2-morpholin-4-yl-N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]acetamide
CID 55505106
2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 55518556
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
2-(phenoxymethyl)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24676056
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide?
The IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide (CID 29357190) is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide?
The canonical SMILES for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1.
What is the InChIKey of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide?
The InChIKey is KTQDUVFZWGBDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c30-25(18-29-14-16-32-17-15-29)27-21-10-12-22(13-11-21)28-26(31)24-9-5-4-6-20(24)19-33-23-7-2-1-3-8-23/h1-13H,14-19H2,(H,27,30)(H,28,31).
What are the key properties of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide?
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide has a molecular weight of 445.52 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide is sourced from PubChem (CID 29357190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).