3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide

C21H24N2O4 — CID 108935147

IUPAC3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)/C=C/c2ccccc2C)cc1OC
InChIInChI=1S/C21H24N2O4/c1-15-6-4-5-7-16(15)9-11-20(24)22-12-13-23-21(25)17-8-10-18(26-2)19(14-17)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,24)(H,23,25)/b11-9+
InChIKeyOFNCJFDTQJZSPW-PKNBQFBNSA-N
MW368.43 g/mol
LogP2.57
Rot. Bonds8

About 3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide

3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide (PubChem CID 108935147) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide
PubChem CID108935147
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)/C=C/c2ccccc2C)cc1OC
InChIInChI=1S/C21H24N2O4/c1-15-6-4-5-7-16(15)9-11-20(24)22-12-13-23-21(25)17-8-10-18(26-2)19(14-17)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,24)(H,23,25)/b11-9+
InChIKeyOFNCJFDTQJZSPW-PKNBQFBNSA-N
XLogP2.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 108935148
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
(Z)-3-(2-methylphenyl)-N-propylprop-2-enamide
CID 97305683
N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 108935169
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 4646130
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
4-fluoro-N-[2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]ethyl]benzamide
CID 103598424
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
CID 108542880
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide
CID 26025403
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555515

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide (CID 108935147) is 3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide is COc1ccc(C(=O)NCCNC(=O)/C=C/c2ccccc2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide?
The InChIKey is OFNCJFDTQJZSPW-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-6-4-5-7-16(15)9-11-20(24)22-12-13-23-21(25)17-8-10-18(26-2)19(14-17)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,24)(H,23,25)/b11-9+.
What are the key properties of 3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide?
3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide is sourced from PubChem (CID 108935147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).