N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide

C19H20N4O4 — CID 3869345

IUPACN-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)NNC(C#N)c1ccc(O)cc1
InChIInChI=1S/C19H20N4O4/c1-3-27-18-10-14(21-12(2)24)6-9-16(18)19(26)23-22-17(11-20)13-4-7-15(25)8-5-13/h4-10,17,22,25H,3H2,1-2H3,(H,21,24)(H,23,26)
InChIKeyWJSILYIUKVYZMN-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.25
Rot. Bonds7

About N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide

N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide (PubChem CID 3869345) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide
PubChem CID3869345
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)NNC(C#N)c1ccc(O)cc1
InChIInChI=1S/C19H20N4O4/c1-3-27-18-10-14(21-12(2)24)6-9-16(18)19(26)23-22-17(11-20)13-4-7-15(25)8-5-13/h4-10,17,22,25H,3H2,1-2H3,(H,21,24)(H,23,26)
InChIKeyWJSILYIUKVYZMN-UHFFFAOYSA-N
XLogP2.25
TPSA123.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[[(R)-cyano-(4-methylsulfanylphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide
CID 1276906
N-[4-[[[(S)-cyano-(3,4,5-trimethoxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide
CID 1276901
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 1274278
2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide
CID 115188126
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129
N-[3-ethoxy-4-[2-(4-iodophenyl)ethynyl]phenyl]acetamide
CID 134942682
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide
CID 84817888

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide?
The IUPAC name of N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide (CID 3869345) is N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide?
The canonical SMILES for N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide is CCOc1cc(NC(C)=O)ccc1C(=O)NNC(C#N)c1ccc(O)cc1.
What is the InChIKey of N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide?
The InChIKey is WJSILYIUKVYZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-3-27-18-10-14(21-12(2)24)6-9-16(18)19(26)23-22-17(11-20)13-4-7-15(25)8-5-13/h4-10,17,22,25H,3H2,1-2H3,(H,21,24)(H,23,26).
What are the key properties of N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide?
N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.25, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[cyano-(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide is sourced from PubChem (CID 3869345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).