N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide

C16H22N2O2 — CID 107578510

IUPACN-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cc(C)cc(C#CCN)c1
InChIInChI=1S/C16H22N2O2/c1-3-20-9-5-7-16(19)18-15-11-13(2)10-14(12-15)6-4-8-17/h10-12H,3,5,7-9,17H2,1-2H3,(H,18,19)
InChIKeyHGEFCTQLOAAIKI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.06
Rot. Bonds6

About N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide

N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide (PubChem CID 107578510) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide
PubChem CID107578510
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cc(C)cc(C#CCN)c1
InChIInChI=1S/C16H22N2O2/c1-3-20-9-5-7-16(19)18-15-11-13(2)10-14(12-15)6-4-8-17/h10-12H,3,5,7-9,17H2,1-2H3,(H,18,19)
InChIKeyHGEFCTQLOAAIKI-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-2-ethoxyacetamide
CID 107578672
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-2-methoxyacetamide
CID 107578597
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-ethoxypropanamide
CID 62588428
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-(furan-2-yl)propanamide
CID 107578437
(E)-3-[3-(4-ethoxybutanoylamino)-5-methylphenyl]prop-2-enoic acid
CID 107580033
ethyl N-[[3-(3-aminoprop-1-ynyl)-5-methylphenyl]sulfamoyl]carbamate
CID 107579336
N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide
CID 107334101
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]oxane-4-carboxamide
CID 107578525
4-ethoxy-N-phenylbutanamide
CID 112728021
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 107578523
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 107578669
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 107578779

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide (CID 107578510) is N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide is CCOCCCC(=O)Nc1cc(C)cc(C#CCN)c1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide?
The InChIKey is HGEFCTQLOAAIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-20-9-5-7-16(19)18-15-11-13(2)10-14(12-15)6-4-8-17/h10-12H,3,5,7-9,17H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide?
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide has a molecular weight of 274.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-ethoxybutanamide is sourced from PubChem (CID 107578510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).