(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide

C20H24N2O2 — CID 82153802

IUPAC(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
SMILESCc1cc(C)cc(NC(=O)/C=C\c2ccc(OC(C)C)c(N)c2)c1
InChIInChI=1S/C20H24N2O2/c1-13(2)24-19-7-5-16(12-18(19)21)6-8-20(23)22-17-10-14(3)9-15(4)11-17/h5-13H,21H2,1-4H3,(H,22,23)/b8-6-
InChIKeyPNBQGAHRQIMWFQ-VURMDHGXSA-N
MW324.42 g/mol
LogP4.32
Rot. Bonds5

About (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide

(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide (PubChem CID 82153802) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
PubChem CID82153802
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
SMILESCc1cc(C)cc(NC(=O)/C=C\c2ccc(OC(C)C)c(N)c2)c1
InChIInChI=1S/C20H24N2O2/c1-13(2)24-19-7-5-16(12-18(19)21)6-8-20(23)22-17-10-14(3)9-15(4)11-17/h5-13H,21H2,1-4H3,(H,22,23)/b8-6-
InChIKeyPNBQGAHRQIMWFQ-VURMDHGXSA-N
XLogP4.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 82153796
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 94760334
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methyl-2-pyridinyl)prop-2-enamide
CID 94760339
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3,5-dimethylphenyl)prop-2-enamide
CID 7961050
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 82153807
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-butylprop-2-enamide
CID 82152897
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 82152915
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 4157604
(E)-3-(3-amino-4-fluorophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39456290
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 82152908
4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzamide
CID 8885040
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-1-(azepan-1-yl)prop-2-en-1-one
CID 82153453

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide (CID 82153802) is (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide is Cc1cc(C)cc(NC(=O)/C=C\c2ccc(OC(C)C)c(N)c2)c1.
What is the InChIKey of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
The InChIKey is PNBQGAHRQIMWFQ-VURMDHGXSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(2)24-19-7-5-16(12-18(19)21)6-8-20(23)22-17-10-14(3)9-15(4)11-17/h5-13H,21H2,1-4H3,(H,22,23)/b8-6-.
What are the key properties of (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide?
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide has a molecular weight of 324.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 82153802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).