N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide

C22H27N5O4 — CID 55504284

IUPACN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C22H27N5O4/c1-16(23-22(30)26-17-5-3-2-4-6-17)21(29)25-19-9-7-18(8-10-19)24-20(28)15-27-11-13-31-14-12-27/h2-10,16H,11-15H2,1H3,(H,24,28)(H,25,29)(H2,23,26,30)
InChIKeySLHPGYBPOMLTHG-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.11
Rot. Bonds7

About N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide

N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide (PubChem CID 55504284) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide
PubChem CID55504284
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C22H27N5O4/c1-16(23-22(30)26-17-5-3-2-4-6-17)21(29)25-19-9-7-18(8-10-19)24-20(28)15-27-11-13-31-14-12-27/h2-10,16H,11-15H2,1H3,(H,24,28)(H,25,29)(H2,23,26,30)
InChIKeySLHPGYBPOMLTHG-UHFFFAOYSA-N
XLogP2.11
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.11
H-Bond Donors ≤ 54
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-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide
CID 30779690
2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 42953030
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 31691698
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide (CID 55504284) is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide is CC(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide?
The InChIKey is SLHPGYBPOMLTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-16(23-22(30)26-17-5-3-2-4-6-17)21(29)25-19-9-7-18(8-10-19)24-20(28)15-27-11-13-31-14-12-27/h2-10,16H,11-15H2,1H3,(H,24,28)(H,25,29)(H2,23,26,30).
What are the key properties of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide?
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide has a molecular weight of 425.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 4 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-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 55504284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).