(E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide

C22H26N2O2 — CID 110440822

IUPAC(E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide
SMILESCOc1ccc(C2(CNC(=O)/C=C/c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-24(2)19-9-4-17(5-10-19)6-13-21(25)23-16-22(14-15-22)18-7-11-20(26-3)12-8-18/h4-13H,14-16H2,1-3H3,(H,23,25)/b13-6+
InChIKeyFNNNTSTVDLWHCY-AWNIVKPZSA-N
MW350.46 g/mol
LogP3.62
Rot. Bonds7

About (E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide

(E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide (PubChem CID 110440822) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide
PubChem CID110440822
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide
SMILESCOc1ccc(C2(CNC(=O)/C=C/c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-24(2)19-9-4-17(5-10-19)6-13-21(25)23-16-22(14-15-22)18-7-11-20(26-3)12-8-18/h4-13H,14-16H2,1-3H3,(H,23,25)/b13-6+
InChIKeyFNNNTSTVDLWHCY-AWNIVKPZSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 94650415
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 71964859
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-3-[4-(dimethylamino)phenyl]-N-[2-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 110440834
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
3-(5-iodofuran-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 76869686
3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea
CID 113214648
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
(E)-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 98935516
(E)-3-(5-bromothiophen-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 60578306
(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1322060

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide (CID 110440822) is (E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide is COc1ccc(C2(CNC(=O)/C=C/c3ccc(N(C)C)cc3)CC2)cc1.
What is the InChIKey of (E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide?
The InChIKey is FNNNTSTVDLWHCY-AWNIVKPZSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-24(2)19-9-4-17(5-10-19)6-13-21(25)23-16-22(14-15-22)18-7-11-20(26-3)12-8-18/h4-13H,14-16H2,1-3H3,(H,23,25)/b13-6+.
What are the key properties of (E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide?
(E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide has a molecular weight of 350.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(dimethylamino)phenyl]-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]prop-2-enamide is sourced from PubChem (CID 110440822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).