N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide

C20H28N2O4 — CID 108935169

IUPACN-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)/C=C/C2CCCCC2)cc1OC
InChIInChI=1S/C20H28N2O4/c1-25-17-10-9-16(14-18(17)26-2)20(24)22-13-12-21-19(23)11-8-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,21,23)(H,22,24)/b11-8+
InChIKeyHBQUGVLJTLBXFP-DHZHZOJOSA-N
MW360.45 g/mol
LogP2.69
Rot. Bonds8

About N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide

N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide (PubChem CID 108935169) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide
PubChem CID108935169
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)/C=C/C2CCCCC2)cc1OC
InChIInChI=1S/C20H28N2O4/c1-25-17-10-9-16(14-18(17)26-2)20(24)22-13-12-21-19(23)11-8-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,21,23)(H,22,24)/b11-8+
InChIKeyHBQUGVLJTLBXFP-DHZHZOJOSA-N
XLogP2.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.69
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

N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 108935148
4-(2-amino-2-oxoethoxy)-N-[2-(cycloheptylamino)ethyl]-3-methoxybenzamide
CID 119619542
(E)-3-cyclohexyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]prop-2-enamide
CID 108935727
N-[2-(cyclohexylsulfamoyl)ethyl]-3,4-dimethoxybenzamide
CID 7618852
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-[2-[cyclohexyl(methyl)sulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618708
3,4-dimethoxy-N-[2-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 108935147
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 119620952
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
CID 108935164

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide (CID 108935169) is N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCNC(=O)/C=C/C2CCCCC2)cc1OC.
What is the InChIKey of N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide?
The InChIKey is HBQUGVLJTLBXFP-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-17-10-9-16(14-18(17)26-2)20(24)22-13-12-21-19(23)11-8-15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,21,23)(H,22,24)/b11-8+.
What are the key properties of N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide?
N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide has a molecular weight of 360.45 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-cyclohexylprop-2-enoyl]amino]ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 108935169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).