(Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide

C18H24N2O3 — CID 144623563

IUPAC(Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide
SMILES[H]/N=C/C(C)=C(\C(=O)NC1CCCCO1)c1ccc(OC)cc1C
InChIInChI=1S/C18H24N2O3/c1-12-10-14(22-3)7-8-15(12)17(13(2)11-19)18(21)20-16-6-4-5-9-23-16/h7-8,10-11,16,19H,4-6,9H2,1-3H3,(H,20,21)/b17-13-,19-11+
InChIKeyAHBXRHQSJXXXTD-XSFSMVBHSA-N
MW316.40 g/mol
LogP3.07
Rot. Bonds5

About (Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide

(Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide (PubChem CID 144623563) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide.

Molecular Properties

Compound Name(Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide
PubChem CID144623563
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide
SMILES[H]/N=C/C(C)=C(\C(=O)NC1CCCCO1)c1ccc(OC)cc1C
InChIInChI=1S/C18H24N2O3/c1-12-10-14(22-3)7-8-15(12)17(13(2)11-19)18(21)20-16-6-4-5-9-23-16/h7-8,10-11,16,19H,4-6,9H2,1-3H3,(H,20,21)/b17-13-,19-11+
InChIKeyAHBXRHQSJXXXTD-XSFSMVBHSA-N
XLogP3.07
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-2-methylphenyl)-3-(oxan-2-yl)propan-1-one
CID 114965567
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
N-cyclohexylsulfonyl-4-methoxy-2-methylbenzamide
CID 154780969
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-[3-methoxy-4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 146223495
(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone
CID 114215515
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
CID 56803297
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide
CID 129345943
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105084741
(E)-1-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 10808037

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide?
The IUPAC name of (Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide (CID 144623563) is (Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide.
What is the SMILES notation for (Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide?
The canonical SMILES for (Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide is [H]/N=C/C(C)=C(\C(=O)NC1CCCCO1)c1ccc(OC)cc1C.
What is the InChIKey of (Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide?
The InChIKey is AHBXRHQSJXXXTD-XSFSMVBHSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-10-14(22-3)7-8-15(12)17(13(2)11-19)18(21)20-16-6-4-5-9-23-16/h7-8,10-11,16,19H,4-6,9H2,1-3H3,(H,20,21)/b17-13-,19-11+.
What are the key properties of (Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide?
(Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide has a molecular weight of 316.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-2-(4-methoxy-2-methylphenyl)-3-methyl-N-(oxan-2-yl)but-2-enamide is sourced from PubChem (CID 144623563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).