3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide

C16H25N3O2 — CID 79538032

IUPAC3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide
SMILESCC(CC1CCCN1)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C16H25N3O2/c1-12(11-13-5-4-9-18-13)19-14-6-2-3-7-15(14)21-10-8-16(17)20/h2-3,6-7,12-13,18-19H,4-5,8-11H2,1H3,(H2,17,20)
InChIKeyVIIUOIMUSYUMIJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.88
Rot. Bonds8

About 3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide

3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide (PubChem CID 79538032) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide
PubChem CID79538032
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide
SMILESCC(CC1CCCN1)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C16H25N3O2/c1-12(11-13-5-4-9-18-13)19-14-6-2-3-7-15(14)21-10-8-16(17)20/h2-3,6-7,12-13,18-19H,4-5,8-11H2,1H3,(H2,17,20)
InChIKeyVIIUOIMUSYUMIJ-UHFFFAOYSA-N
XLogP1.88
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540145
3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide
CID 115929140
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539102
3-[2-(1-cyclopropylethylamino)phenoxy]propanamide
CID 43729791
3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide
CID 62534715
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide
CID 79537724
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide
CID 119733611
N-[1-(azepan-2-yl)propan-2-yl]naphthalen-1-amine
CID 79540649
2-N,2-N-dimethyl-3-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridine-2,3-diamine
CID 79541143
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide?
The IUPAC name of 3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide (CID 79538032) is 3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide?
The canonical SMILES for 3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide is CC(CC1CCCN1)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of 3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide?
The InChIKey is VIIUOIMUSYUMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(11-13-5-4-9-18-13)19-14-6-2-3-7-15(14)21-10-8-16(17)20/h2-3,6-7,12-13,18-19H,4-5,8-11H2,1H3,(H2,17,20).
What are the key properties of 3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide?
3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide is sourced from PubChem (CID 79538032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).