N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide

C13H18N2O — CID 63229837

IUPACN-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CC1CC1)c1cccc(N)c1
InChIInChI=1S/C13H18N2O/c1-2-15(13(16)8-10-6-7-10)12-5-3-4-11(14)9-12/h3-5,9-10H,2,6-8,14H2,1H3
InChIKeyDCCSUSWGEKVNLZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.42
Rot. Bonds4

About N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide

N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide (PubChem CID 63229837) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
PubChem CID63229837
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CC1CC1)c1cccc(N)c1
InChIInChI=1S/C13H18N2O/c1-2-15(13(16)8-10-6-7-10)12-5-3-4-11(14)9-12/h3-5,9-10H,2,6-8,14H2,1H3
InChIKeyDCCSUSWGEKVNLZ-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide
CID 63229908
N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide
CID 63229916
N-(3-aminophenyl)-N-ethyldecanamide
CID 65448348
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-ethyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754675
N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
CID 63230005
N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
CID 63229707
N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106826094
2-methylpropyl N-(3-aminophenyl)-N-ethylcarbamate
CID 63229674
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide
CID 79607499
N-(3-aminophenyl)-N-propylcyclohexanecarboxamide
CID 63229982
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide?
The IUPAC name of N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide (CID 63229837) is N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide?
The canonical SMILES for N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide is CCN(C(=O)CC1CC1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide?
The InChIKey is DCCSUSWGEKVNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-15(13(16)8-10-6-7-10)12-5-3-4-11(14)9-12/h3-5,9-10H,2,6-8,14H2,1H3.
What are the key properties of N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide?
N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide has a molecular weight of 218.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 63229837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).