2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide

C19H21N3O4 — CID 19761843

IUPAC2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide
SMILESCC(/C=C/c1cccc(Oc2ccccc2)c1)NC(=O)CN(O)C(N)=O
InChIInChI=1S/C19H21N3O4/c1-14(21-18(23)13-22(25)19(20)24)10-11-15-6-5-9-17(12-15)26-16-7-3-2-4-8-16/h2-12,14,25H,13H2,1H3,(H2,20,24)(H,21,23)/b11-10+
InChIKeyIXJQAGHSFSMLQC-ZHACJKMWSA-N
MW355.39 g/mol
LogP2.77
Rot. Bonds7

About 2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide

2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide (PubChem CID 19761843) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide.

Molecular Properties

Compound Name2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide
PubChem CID19761843
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide
SMILESCC(/C=C/c1cccc(Oc2ccccc2)c1)NC(=O)CN(O)C(N)=O
InChIInChI=1S/C19H21N3O4/c1-14(21-18(23)13-22(25)19(20)24)10-11-15-6-5-9-17(12-15)26-16-7-3-2-4-8-16/h2-12,14,25H,13H2,1H3,(H2,20,24)(H,21,23)/b11-10+
InChIKeyIXJQAGHSFSMLQC-ZHACJKMWSA-N
XLogP2.77
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
CID 6603738
1-[(2R)-4-[3-(4-cyanophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
CID 54338808
N-[(2S)-4-[3-(4-chlorophenoxy)phenyl]but-3-en-2-yl]hydroxylamine
CID 173361003
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
dimethyl 2-[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]butanedioate
CID 10091361
(E)-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103091447
N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine
CID 79341732
(E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid
CID 105460058
(3-phenoxyphenyl)methyl (E)-4-(3-fluorophenyl)-2-propan-2-ylbut-3-enoate
CID 12895330
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277
(E)-N-methyl-4-(3-propan-2-yloxyphenyl)but-3-en-2-amine
CID 103092042
N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide
CID 129439276

Frequently Asked Questions

What is the IUPAC name of 2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide?
The IUPAC name of 2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide (CID 19761843) is 2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide.
What is the SMILES notation for 2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide?
The canonical SMILES for 2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide is CC(/C=C/c1cccc(Oc2ccccc2)c1)NC(=O)CN(O)C(N)=O.
What is the InChIKey of 2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide?
The InChIKey is IXJQAGHSFSMLQC-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-14(21-18(23)13-22(25)19(20)24)10-11-15-6-5-9-17(12-15)26-16-7-3-2-4-8-16/h2-12,14,25H,13H2,1H3,(H2,20,24)(H,21,23)/b11-10+.
What are the key properties of 2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide?
2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide has a molecular weight of 355.39 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide is sourced from PubChem (CID 19761843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).