2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide

C15H25N3O — CID 63231608

IUPAC2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide
SMILESCCCN(CC(=O)NC(C)CC)c1ccc(N)cc1
InChIInChI=1S/C15H25N3O/c1-4-10-18(11-15(19)17-12(3)5-2)14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyYQWRVRGDSVDVRZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.40
Rot. Bonds7

About 2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide

2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide (PubChem CID 63231608) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide
PubChem CID63231608
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide
SMILESCCCN(CC(=O)NC(C)CC)c1ccc(N)cc1
InChIInChI=1S/C15H25N3O/c1-4-10-18(11-15(19)17-12(3)5-2)14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyYQWRVRGDSVDVRZ-UHFFFAOYSA-N
XLogP2.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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 2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide?
The IUPAC name of 2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide (CID 63231608) is 2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide is CCCN(CC(=O)NC(C)CC)c1ccc(N)cc1.
What is the InChIKey of 2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide?
The InChIKey is YQWRVRGDSVDVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-10-18(11-15(19)17-12(3)5-2)14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide?
2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide has a molecular weight of 263.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-propylanilino)-N-butan-2-ylacetamide is sourced from PubChem (CID 63231608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).