(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide

C19H28N2O4 — CID 23013629

IUPAC(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide
SMILESCCCN(CCC)C(=O)/C(=C/c1ccc(OC)c(OC)c1)NC(C)=O
InChIInChI=1S/C19H28N2O4/c1-6-10-21(11-7-2)19(23)16(20-14(3)22)12-15-8-9-17(24-4)18(13-15)25-5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,20,22)/b16-12-
InChIKeyFMVBITNMYSIHBB-VBKFSLOCSA-N
MW348.44 g/mol
LogP2.83
Rot. Bonds9

About (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide

(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide (PubChem CID 23013629) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide
PubChem CID23013629
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide
SMILESCCCN(CCC)C(=O)/C(=C/c1ccc(OC)c(OC)c1)NC(C)=O
InChIInChI=1S/C19H28N2O4/c1-6-10-21(11-7-2)19(23)16(20-14(3)22)12-15-8-9-17(24-4)18(13-15)25-5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,20,22)/b16-12-
InChIKeyFMVBITNMYSIHBB-VBKFSLOCSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.83
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

2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 4925589
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 6232322
(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 23013597
2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 4768018
4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-dipropylbenzamide
CID 17196156
(Z)-2-acetamido-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 54848084
2-acetamido-3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)prop-2-enamide
CID 4925534
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
ethyl 3-(3,4-dimethoxyphenyl)-2-formamidoprop-2-enoate
CID 85438887
2-acetamido-N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 4925504
1-(3,4-dimethoxyphenyl)pent-1-en-3-one
CID 85437711
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide (CID 23013629) is (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide is CCCN(CCC)C(=O)/C(=C/c1ccc(OC)c(OC)c1)NC(C)=O.
What is the InChIKey of (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide?
The InChIKey is FMVBITNMYSIHBB-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-6-10-21(11-7-2)19(23)16(20-14(3)22)12-15-8-9-17(24-4)18(13-15)25-5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,20,22)/b16-12-.
What are the key properties of (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide?
(Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide has a molecular weight of 348.44 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-(3,4-dimethoxyphenyl)-N,N-dipropylprop-2-enamide is sourced from PubChem (CID 23013629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).