N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide

C23H30N2O3 — CID 139646624

IUPACN-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)CCNC(=O)C=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H30N2O3/c1-5-25(6-2)16-15-24-23(26)17-22(18-7-11-20(27-3)12-8-18)19-9-13-21(28-4)14-10-19/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,26)
InChIKeyIOFJVSXVLOWEMA-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.59
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide

N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide (PubChem CID 139646624) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide
PubChem CID139646624
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)CCNC(=O)C=C(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H30N2O3/c1-5-25(6-2)16-15-24-23(26)17-22(18-7-11-20(27-3)12-8-18)19-9-13-21(28-4)14-10-19/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,26)
InChIKeyIOFJVSXVLOWEMA-UHFFFAOYSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.59
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

N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
ethyl 2-[3,3-bis(4-methoxyphenyl)prop-2-enoylamino]acetate
CID 57250494
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868181
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618195
N-[(Z)-3-[2-(diethylamino)ethylamino]-3-oxo-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]-3,4,5-trimethoxybenzamide
CID 6366824
2-[2-(diethylamino)ethylamino]-4-(4-ethoxyphenyl)-4-oxobut-2-enoic acid
CID 142759639
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide
CID 70967812
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
ethyl 5,5-bis(4-methoxyphenyl)-3-oxopent-4-enoate
CID 13200807

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide (CID 139646624) is N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide is CCN(CC)CCNC(=O)C=C(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide?
The InChIKey is IOFJVSXVLOWEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-25(6-2)16-15-24-23(26)17-22(18-7-11-20(27-3)12-8-18)19-9-13-21(28-4)14-10-19/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,26).
What are the key properties of N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide?
N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide has a molecular weight of 382.50 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3,3-bis(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 139646624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).