2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone

C16H24N2O — CID 114333519

IUPAC2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCCCCc1ccccc1)N1CCCC1
InChIInChI=1S/C16H24N2O/c19-16(18-12-6-7-13-18)14-17-11-5-4-10-15-8-2-1-3-9-15/h1-3,8-9,17H,4-7,10-14H2
InChIKeyIYJYKBPNPYJOIK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds7

About 2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone

2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 114333519) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
PubChem CID114333519
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCCCCc1ccccc1)N1CCCC1
InChIInChI=1S/C16H24N2O/c19-16(18-12-6-7-13-18)14-17-11-5-4-10-15-8-2-1-3-9-15/h1-3,8-9,17H,4-7,10-14H2
InChIKeyIYJYKBPNPYJOIK-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
CID 60672286
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
CID 28577546
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
2-(3-phenylpropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004865
12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one
CID 146255651
3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
CID 108942374
1-(azepan-1-yl)-2-[2-(3-chlorophenyl)ethylamino]ethanone
CID 109006698
2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60672436
1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119764304
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-phenylpentyl)guanidine
CID 111929397
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-phenylethylamino)ethanone
CID 108999897

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone (CID 114333519) is 2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone is O=C(CNCCCCc1ccccc1)N1CCCC1.
What is the InChIKey of 2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is IYJYKBPNPYJOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-16(18-12-6-7-13-18)14-17-11-5-4-10-15-8-2-1-3-9-15/h1-3,8-9,17H,4-7,10-14H2.
What are the key properties of 2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone?
2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 260.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 114333519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).