[2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

C16H24N2O2 — CID 62479621

IUPAC[2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCCNc1ccccc1C(=O)N1CCCC1CCCO
InChIInChI=1S/C16H24N2O2/c1-2-17-15-10-4-3-9-14(15)16(20)18-11-5-7-13(18)8-6-12-19/h3-4,9-10,13,17,19H,2,5-8,11-12H2,1H3
InChIKeyDNJWPZWMCPTPPU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds6

About [2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

[2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 62479621) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID62479621
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCCNc1ccccc1C(=O)N1CCCC1CCCO
InChIInChI=1S/C16H24N2O2/c1-2-17-15-10-4-3-9-14(15)16(20)18-11-5-7-13(18)8-6-12-19/h3-4,9-10,13,17,19H,2,5-8,11-12H2,1H3
InChIKeyDNJWPZWMCPTPPU-UHFFFAOYSA-N
XLogP2.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83044104
(3-hydroxy-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 82828961
(3-amino-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 55076498
[3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62660396
[5-(ethylamino)-2-pyridinyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 104641130
[5-chloro-2-(ethylamino)phenyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62166978
N-carbamoyl-2-[2-[(2R)-2-(2-hydroxyethyl)piperidine-1-carbonyl]anilino]acetamide
CID 95636491
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 80616565
[5-chloro-2-(ethylamino)phenyl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62178255
[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83045411
(2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 107722906

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 62479621) is [2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is CCNc1ccccc1C(=O)N1CCCC1CCCO.
What is the InChIKey of [2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is DNJWPZWMCPTPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-17-15-10-4-3-9-14(15)16(20)18-11-5-7-13(18)8-6-12-19/h3-4,9-10,13,17,19H,2,5-8,11-12H2,1H3.
What are the key properties of [2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
[2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62479621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).