2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide

C15H20N2O — CID 55083999

IUPAC2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide
SMILESNc1cccc(CC(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H20N2O/c16-13-3-1-2-10(8-13)9-14(18)17-15(11-4-5-11)12-6-7-12/h1-3,8,11-12,15H,4-7,9,16H2,(H,17,18)
InChIKeyIODOWKFPGDEPIQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.12
Rot. Bonds5

About 2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide

2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide (PubChem CID 55083999) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide
PubChem CID55083999
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide
SMILESNc1cccc(CC(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C15H20N2O/c16-13-3-1-2-10(8-13)9-14(18)17-15(11-4-5-11)12-6-7-12/h1-3,8,11-12,15H,4-7,9,16H2,(H,17,18)
InChIKeyIODOWKFPGDEPIQ-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 113484647
2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 106343741
2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 65350441
methyl 2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 55083996
2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689697
2-(3-aminophenyl)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520628
2-(3-aminophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 63725713
2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 81380692

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide (CID 55083999) is 2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide is Nc1cccc(CC(=O)NC(C2CC2)C2CC2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide?
The InChIKey is IODOWKFPGDEPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-13-3-1-2-10(8-13)9-14(18)17-15(11-4-5-11)12-6-7-12/h1-3,8,11-12,15H,4-7,9,16H2,(H,17,18).
What are the key properties of 2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide?
2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide is sourced from PubChem (CID 55083999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).