2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide

C16H18N2O3 — CID 169332176

IUPAC2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C)cc1-c1ccc(C=O)o1
InChIInChI=1S/C16H18N2O3/c1-11-4-5-12(17-16(20)9-18(2)3)8-14(11)15-7-6-13(10-19)21-15/h4-8,10H,9H2,1-3H3,(H,17,20)
InChIKeyCUEZAZCBRJBMIE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.57
Rot. Bonds5

About 2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide

2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide (PubChem CID 169332176) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide
PubChem CID169332176
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C)cc1-c1ccc(C=O)o1
InChIInChI=1S/C16H18N2O3/c1-11-4-5-12(17-16(20)9-18(2)3)8-14(11)15-7-6-13(10-19)21-15/h4-8,10H,9H2,1-3H3,(H,17,20)
InChIKeyCUEZAZCBRJBMIE-UHFFFAOYSA-N
XLogP2.57
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide
CID 169332595
N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]oxolane-3-carboxamide;formic acid
CID 154912847
tert-butyl N-[4-chloro-3-(5-formylfuran-2-yl)phenyl]carbamate
CID 169334093
2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide
CID 131890191
5-[[2-(dimethylamino)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 86805194
2-(dimethylamino)-N-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-4-methylphenyl]acetamide
CID 168537085
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
5-(4-methyl-3-pyridinyl)furan-2-carbaldehyde
CID 103840991
N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169365615
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide (CID 169332176) is 2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CN(C)C)cc1-c1ccc(C=O)o1.
What is the InChIKey of 2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide?
The InChIKey is CUEZAZCBRJBMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-4-5-12(17-16(20)9-18(2)3)8-14(11)15-7-6-13(10-19)21-15/h4-8,10H,9H2,1-3H3,(H,17,20).
What are the key properties of 2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide?
2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide is sourced from PubChem (CID 169332176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).