N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide

C12H15NO3 — CID 165346221

IUPACN-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide
SMILESC=C(C)c1cc(OC)c(OC)cc1NC=O
InChIInChI=1S/C12H15NO3/c1-8(2)9-5-11(15-3)12(16-4)6-10(9)13-7-14/h5-7H,1H2,2-4H3,(H,13,14)
InChIKeyVZKDLMOZSPWGLC-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.31
Rot. Bonds5

About N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide

N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide (PubChem CID 165346221) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide
PubChem CID165346221
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide
SMILESC=C(C)c1cc(OC)c(OC)cc1NC=O
InChIInChI=1S/C12H15NO3/c1-8(2)9-5-11(15-3)12(16-4)6-10(9)13-7-14/h5-7H,1H2,2-4H3,(H,13,14)
InChIKeyVZKDLMOZSPWGLC-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromobenzoyl)-4,5-dimethoxyphenyl]formamide
CID 168650887
CID 59316225
CID 59316225
N-(4-acetyl-2-methoxyphenyl)formamide
CID 145382079
N-(5-formyl-2-methoxyphenyl)formamide
CID 168654093
N-(2-bromo-4-chloro-5-methoxyphenyl)formamide
CID 168654011
N-(2-methyl-5-prop-1-en-2-ylphenyl)formamide
CID 143698511
N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide
CID 168652825
N-(4-formamido-2-methoxyphenyl)acetamide
CID 64990664
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
methanamine;N-(2-methoxyphenyl)formamide
CID 143368119
2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene
CID 166018938
N-(5-methoxy-2-methyl-4-nitrophenyl)formamide
CID 168654239

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide?
The IUPAC name of N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide (CID 165346221) is N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide?
The canonical SMILES for N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide is C=C(C)c1cc(OC)c(OC)cc1NC=O.
What is the InChIKey of N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide?
The InChIKey is VZKDLMOZSPWGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(2)9-5-11(15-3)12(16-4)6-10(9)13-7-14/h5-7H,1H2,2-4H3,(H,13,14).
What are the key properties of N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide?
N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide has a molecular weight of 221.26 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide is sourced from PubChem (CID 165346221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).