2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone

C16H25N3O2 — CID 43136387

IUPAC2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone
SMILESCOc1cccc(N(CCCN)CC(=O)N2CCCC2)c1
InChIInChI=1S/C16H25N3O2/c1-21-15-7-4-6-14(12-15)19(11-5-8-17)13-16(20)18-9-2-3-10-18/h4,6-7,12H,2-3,5,8-11,13,17H2,1H3
InChIKeyROGSWRTUBWMYOJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.47
Rot. Bonds7

About 2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone

2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone (PubChem CID 43136387) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone
PubChem CID43136387
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone
SMILESCOc1cccc(N(CCCN)CC(=O)N2CCCC2)c1
InChIInChI=1S/C16H25N3O2/c1-21-15-7-4-6-14(12-15)19(11-5-8-17)13-16(20)18-9-2-3-10-18/h4,6-7,12H,2-3,5,8-11,13,17H2,1H3
InChIKeyROGSWRTUBWMYOJ-UHFFFAOYSA-N
XLogP1.47
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
N-[2-(3-methoxyphenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113164639
ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 113173356
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164704
N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 28767782
N-(3-methoxyphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113173376
N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 43319153
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 51073854
4-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119306920
N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262673

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone (CID 43136387) is 2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone is COc1cccc(N(CCCN)CC(=O)N2CCCC2)c1.
What is the InChIKey of 2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone?
The InChIKey is ROGSWRTUBWMYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-15-7-4-6-14(12-15)19(11-5-8-17)13-16(20)18-9-2-3-10-18/h4,6-7,12H,2-3,5,8-11,13,17H2,1H3.
What are the key properties of 2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone?
2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone has a molecular weight of 291.39 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43136387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).