N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide

C22H24N2O5 — CID 7944497

IUPACN-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CC2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O5/c1-27-18-12-14(13-19(28-2)21(18)29-3)8-11-20(25)24-17-7-5-4-6-16(17)22(26)23-15-9-10-15/h4-8,11-13,15H,9-10H2,1-3H3,(H,23,26)(H,24,25)/b11-8+
InChIKeyBHYTUENFWASODX-DHZHZOJOSA-N
MW396.44 g/mol
LogP3.26
Rot. Bonds8

About N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide

N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 7944497) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID7944497
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CC2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O5/c1-27-18-12-14(13-19(28-2)21(18)29-3)8-11-20(25)24-17-7-5-4-6-16(17)22(26)23-15-9-10-15/h4-8,11-13,15H,9-10H2,1-3H3,(H,23,26)(H,24,25)/b11-8+
InChIKeyBHYTUENFWASODX-DHZHZOJOSA-N
XLogP3.26
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoylamino]-N-cyclopropylbenzamide
CID 74513680
N-propan-2-yl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6145912
(E)-N-(2-acetylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8749614
N-(3-amino-3-oxopropyl)-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 56516538
N-cyclopropyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide
CID 7944484
N-[2-(2-hydroxyethoxy)ethyl]-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 67648342
(E)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26706811
N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
CID 4923184
(E)-N-(2-cyclopentyloxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55807842
2-[3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoylamino]-N-piperidin-4-ylbenzamide
CID 146373898
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
CID 8700153

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide (CID 7944497) is N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide is COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is BHYTUENFWASODX-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-27-18-12-14(13-19(28-2)21(18)29-3)8-11-20(25)24-17-7-5-4-6-16(17)22(26)23-15-9-10-15/h4-8,11-13,15H,9-10H2,1-3H3,(H,23,26)(H,24,25)/b11-8+.
What are the key properties of N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide?
N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 396.44 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 7944497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).