4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C22H24N2O4 — CID 17205611

IUPAC4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H24N2O4/c1-27-20-7-3-2-5-16(20)10-13-21(25)24-18-11-8-17(9-12-18)22(26)23-15-19-6-4-14-28-19/h2-3,5,7-13,19H,4,6,14-15H2,1H3,(H,23,26)(H,24,25)/b13-10+
InChIKeyLBFMXKSAZJCVTA-JLHYYAGUSA-N
MW380.44 g/mol
LogP3.26
Rot. Bonds7

About 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide

4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 17205611) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID17205611
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H24N2O4/c1-27-20-7-3-2-5-16(20)10-13-21(25)24-18-11-8-17(9-12-18)22(26)23-15-19-6-4-14-28-19/h2-3,5,7-13,19H,4,6,14-15H2,1H3,(H,23,26)(H,24,25)/b13-10+
InChIKeyLBFMXKSAZJCVTA-JLHYYAGUSA-N
XLogP3.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 895784
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205610
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
(E)-3-(2-methoxyphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 94801288
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17195121
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 42756148
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205639
4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205794
4-tert-butyl-N-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17234965

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 17205611) is 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide is COc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LBFMXKSAZJCVTA-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-20-7-3-2-5-16(20)10-13-21(25)24-18-11-8-17(9-12-18)22(26)23-15-19-6-4-14-28-19/h2-3,5,7-13,19H,4,6,14-15H2,1H3,(H,23,26)(H,24,25)/b13-10+.
What are the key properties of 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 380.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 17205611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).