N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide

C17H26N2O2 — CID 103161636

IUPACN-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide
SMILESCCCN(C(=O)CC1CC(OCC)C1)c1ccc(N)cc1
InChIInChI=1S/C17H26N2O2/c1-3-9-19(15-7-5-14(18)6-8-15)17(20)12-13-10-16(11-13)21-4-2/h5-8,13,16H,3-4,9-12,18H2,1-2H3
InChIKeyJPPGMRIEMSDXPF-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.22
Rot. Bonds7

About N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide

N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide (PubChem CID 103161636) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide
PubChem CID103161636
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide
SMILESCCCN(C(=O)CC1CC(OCC)C1)c1ccc(N)cc1
InChIInChI=1S/C17H26N2O2/c1-3-9-19(15-7-5-14(18)6-8-15)17(20)12-13-10-16(11-13)21-4-2/h5-8,13,16H,3-4,9-12,18H2,1-2H3
InChIKeyJPPGMRIEMSDXPF-UHFFFAOYSA-N
XLogP3.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide (CID 103161636) is N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide is CCCN(C(=O)CC1CC(OCC)C1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide?
The InChIKey is JPPGMRIEMSDXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-9-19(15-7-5-14(18)6-8-15)17(20)12-13-10-16(11-13)21-4-2/h5-8,13,16H,3-4,9-12,18H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide?
N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide has a molecular weight of 290.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide is sourced from PubChem (CID 103161636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).