N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide

C18H17N3O4 — CID 108922880

IUPACN-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)Nc1ccccc1NC(=O)CC#N
InChIInChI=1S/C18H17N3O4/c1-12(25-14-8-6-13(22)7-9-14)18(24)21-16-5-3-2-4-15(16)20-17(23)10-11-19/h2-9,12,22H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyQJCWJNXJOILALM-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.65
Rot. Bonds6

About N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide

N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide (PubChem CID 108922880) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide
PubChem CID108922880
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide
SMILESCC(Oc1ccc(O)cc1)C(=O)Nc1ccccc1NC(=O)CC#N
InChIInChI=1S/C18H17N3O4/c1-12(25-14-8-6-13(22)7-9-14)18(24)21-16-5-3-2-4-15(16)20-17(23)10-11-19/h2-9,12,22H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyQJCWJNXJOILALM-UHFFFAOYSA-N
XLogP2.65
TPSA111.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2-cyanoacetyl)amino]phenyl]methyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108923572
2-(4-cyanophenoxy)-N-(2-hydroxyphenyl)propanamide
CID 46665197
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide
CID 7643356
N-[2-(2-phenoxypropanoylamino)phenyl]butanamide
CID 2977242
N-[2-[[(2R)-2-phenoxypropanoyl]amino]phenyl]butanamide
CID 1255249
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide
CID 7505965
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide
CID 108922952
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]propanamide
CID 7670740

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide?
The IUPAC name of N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide (CID 108922880) is N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide.
What is the SMILES notation for N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide?
The canonical SMILES for N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide is CC(Oc1ccc(O)cc1)C(=O)Nc1ccccc1NC(=O)CC#N.
What is the InChIKey of N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide?
The InChIKey is QJCWJNXJOILALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12(25-14-8-6-13(22)7-9-14)18(24)21-16-5-3-2-4-15(16)20-17(23)10-11-19/h2-9,12,22H,10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide?
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide has a molecular weight of 339.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyanoacetyl)amino]phenyl]-2-(4-hydroxyphenoxy)propanamide is sourced from PubChem (CID 108922880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).