(E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide

C18H28N2O3 — CID 146097662

IUPAC(E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide
SMILESCOc1ccccc1C(CNC(=O)/C=C/CN(C)C)OC(C)C
InChIInChI=1S/C18H28N2O3/c1-14(2)23-17(15-9-6-7-10-16(15)22-5)13-19-18(21)11-8-12-20(3)4/h6-11,14,17H,12-13H2,1-5H3,(H,19,21)/b11-8+
InChIKeyBXJHAWHLBMRXAR-DHZHZOJOSA-N
MW320.43 g/mol
LogP2.40
Rot. Bonds9

About (E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide

(E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide (PubChem CID 146097662) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide
PubChem CID146097662
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide
SMILESCOc1ccccc1C(CNC(=O)/C=C/CN(C)C)OC(C)C
InChIInChI=1S/C18H28N2O3/c1-14(2)23-17(15-9-6-7-10-16(15)22-5)13-19-18(21)11-8-12-20(3)4/h6-11,14,17H,12-13H2,1-5H3,(H,19,21)/b11-8+
InChIKeyBXJHAWHLBMRXAR-DHZHZOJOSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.40
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

1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
CID 90598262
(E)-3-(2-methoxyphenyl)-N-[(2R)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 40648014
(E)-N-[bis(2-methylphenyl)methyl]-4-(dimethylamino)but-2-enamide
CID 146097655
(E)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 90598018
(E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 55337515
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
4-(dimethylamino)-N-phenylbut-2-enamide
CID 72514761
[(1S)-1-(2,3-dimethoxyphenyl)-2-(3-phenylprop-2-enoylamino)ethyl] 3-phenylprop-2-enoate
CID 130362657
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618935
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea
CID 90598260
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide (CID 146097662) is (E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide is COc1ccccc1C(CNC(=O)/C=C/CN(C)C)OC(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide?
The InChIKey is BXJHAWHLBMRXAR-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(2)23-17(15-9-6-7-10-16(15)22-5)13-19-18(21)11-8-12-20(3)4/h6-11,14,17H,12-13H2,1-5H3,(H,19,21)/b11-8+.
What are the key properties of (E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide?
(E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide has a molecular weight of 320.43 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]but-2-enamide is sourced from PubChem (CID 146097662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).