(E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide

C21H23ClN2O3 — CID 2062687

IUPAC(E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
SMILESCC[C@H](C)c1ccccc1OCC(=O)NNC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C21H23ClN2O3/c1-3-15(2)17-9-5-7-11-19(17)27-14-21(26)24-23-20(25)13-12-16-8-4-6-10-18(16)22/h4-13,15H,3,14H2,1-2H3,(H,23,25)(H,24,26)/b13-12+/t15-/m0/s1
InChIKeyAKBZFZGIKPCNEU-LHNRBYRGSA-N
MW386.88 g/mol
LogP4.09
Rot. Bonds7

About (E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide

(E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide (PubChem CID 2062687) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is (E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
PubChem CID2062687
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name(E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
SMILESCC[C@H](C)c1ccccc1OCC(=O)NNC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C21H23ClN2O3/c1-3-15(2)17-9-5-7-11-19(17)27-14-21(26)24-23-20(25)13-12-16-8-4-6-10-18(16)22/h4-13,15H,3,14H2,1-2H3,(H,23,25)(H,24,26)/b13-12+/t15-/m0/s1
InChIKeyAKBZFZGIKPCNEU-LHNRBYRGSA-N
XLogP4.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3902782
(E)-N'-[2-(2-butan-2-ylphenoxy)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187004
3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide
CID 4507139
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 6232626
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide
CID 9470311
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide
CID 9470192
2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43413875
(E)-N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187333
(E)-3-(2-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471914
(E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide
CID 17227225
benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935783

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide (CID 2062687) is (E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide is CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of (E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide?
The InChIKey is AKBZFZGIKPCNEU-LHNRBYRGSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-3-15(2)17-9-5-7-11-19(17)27-14-21(26)24-23-20(25)13-12-16-8-4-6-10-18(16)22/h4-13,15H,3,14H2,1-2H3,(H,23,25)(H,24,26)/b13-12+/t15-/m0/s1.
What are the key properties of (E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide?
(E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide has a molecular weight of 386.88 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 2062687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).