3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide

C15H23N3O — CID 79540029

IUPAC3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide
SMILESCC(CC1CCCN1)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C15H23N3O/c1-11(8-14-6-3-7-17-14)18-10-12-4-2-5-13(9-12)15(16)19/h2,4-5,9,11,14,17-18H,3,6-8,10H2,1H3,(H2,16,19)
InChIKeyAXQZCXHYBIFRIL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.41
Rot. Bonds6

About 3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide

3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide (PubChem CID 79540029) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide
PubChem CID79540029
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide
SMILESCC(CC1CCCN1)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C15H23N3O/c1-11(8-14-6-3-7-17-14)18-10-12-4-2-5-13(9-12)15(16)19/h2,4-5,9,11,14,17-18H,3,6-8,10H2,1H3,(H2,16,19)
InChIKeyAXQZCXHYBIFRIL-UHFFFAOYSA-N
XLogP1.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
CID 121367800
[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzonitrile
CID 79541717
3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
CID 61366263
N-[(3-ethoxyphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79537589
3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106614911
3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119770329
1-(azepan-2-yl)-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 79559972
2-(1-pyrrolidin-2-ylpropan-2-ylamino)acetamide
CID 79544229
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 43664751

Frequently Asked Questions

What is the IUPAC name of 3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide?
The IUPAC name of 3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide (CID 79540029) is 3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide.
What is the SMILES notation for 3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide?
The canonical SMILES for 3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide is CC(CC1CCCN1)NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide?
The InChIKey is AXQZCXHYBIFRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(8-14-6-3-7-17-14)18-10-12-4-2-5-13(9-12)15(16)19/h2,4-5,9,11,14,17-18H,3,6-8,10H2,1H3,(H2,16,19).
What are the key properties of 3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide?
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 79540029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).