2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C16H25N3O — CID 60661179

IUPAC2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-3-13(2)17-12-16(20)18-14-6-8-15(9-7-14)19-10-4-5-11-19/h6-9,13,17H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyVNDYDUDRUNWPAB-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.61
Rot. Bonds6

About 2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 60661179) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID60661179
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-3-13(2)17-12-16(20)18-14-6-8-15(9-7-14)19-10-4-5-11-19/h6-9,13,17H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyVNDYDUDRUNWPAB-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
CID 60852680
2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 25341331
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164
N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108505469
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide
CID 110606260
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8593623
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 60661179) is 2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is CCC(C)NCC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is VNDYDUDRUNWPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-13(2)17-12-16(20)18-14-6-8-15(9-7-14)19-10-4-5-11-19/h6-9,13,17H,3-5,10-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 60661179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).