(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide

C21H30N2O3 — CID 30254928

IUPAC(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H30N2O3/c1-25-19-8-4-3-7-18(19)9-10-20(24)22-17-21(11-5-2-6-12-21)23-13-15-26-16-14-23/h3-4,7-10H,2,5-6,11-17H2,1H3,(H,22,24)/b10-9+
InChIKeyBQGHQMCPZUJWRO-MDZDMXLPSA-N
MW358.48 g/mol
LogP2.86
Rot. Bonds6

About (E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide (PubChem CID 30254928) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
PubChem CID30254928
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H30N2O3/c1-25-19-8-4-3-7-18(19)9-10-20(24)22-17-21(11-5-2-6-12-21)23-13-15-26-16-14-23/h3-4,7-10H,2,5-6,11-17H2,1H3,(H,22,24)/b10-9+
InChIKeyBQGHQMCPZUJWRO-MDZDMXLPSA-N
XLogP2.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
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-(3-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254917
(2S)-2-(2-methoxyphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 34948785
(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259528
(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide
CID 139028127
N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 76945995
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259602
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 16596089
1-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 45427653
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propoxybenzamide;hydrochloride
CID 20994940
3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 37259435
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
CID 139027118

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide (CID 30254928) is (E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide is COc1ccccc1/C=C/C(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
The InChIKey is BQGHQMCPZUJWRO-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-25-19-8-4-3-7-18(19)9-10-20(24)22-17-21(11-5-2-6-12-21)23-13-15-26-16-14-23/h3-4,7-10H,2,5-6,11-17H2,1H3,(H,22,24)/b10-9+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide has a molecular weight of 358.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide is sourced from PubChem (CID 30254928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).