3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide

C16H25N3O — CID 114480039

IUPAC3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNC(C)CN1CCCC1
InChIInChI=1S/C16H25N3O/c1-12-9-14(16(17)20)5-6-15(12)10-18-13(2)11-19-7-3-4-8-19/h5-6,9,13,18H,3-4,7-8,10-11H2,1-2H3,(H2,17,20)
InChIKeyLZXQLYNBLOBWOH-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.67
Rot. Bonds6

About 3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide

3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide (PubChem CID 114480039) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide
PubChem CID114480039
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNC(C)CN1CCCC1
InChIInChI=1S/C16H25N3O/c1-12-9-14(16(17)20)5-6-15(12)10-18-13(2)11-19-7-3-4-8-19/h5-6,9,13,18H,3-4,7-8,10-11H2,1-2H3,(H2,17,20)
InChIKeyLZXQLYNBLOBWOH-UHFFFAOYSA-N
XLogP1.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide
CID 114480398
3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide
CID 114480710
3-methyl-4-[(4-methylsulfinylbutan-2-ylamino)methyl]benzamide
CID 114480829
3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930123
4-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-3-methylbenzamide
CID 114484857
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide
CID 114480030
3-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930103
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-3-methylbenzamide
CID 114480105
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide?
The IUPAC name of 3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide (CID 114480039) is 3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide?
The canonical SMILES for 3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide is Cc1cc(C(N)=O)ccc1CNC(C)CN1CCCC1.
What is the InChIKey of 3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide?
The InChIKey is LZXQLYNBLOBWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-9-14(16(17)20)5-6-15(12)10-18-13(2)11-19-7-3-4-8-19/h5-6,9,13,18H,3-4,7-8,10-11H2,1-2H3,(H2,17,20).
What are the key properties of 3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide?
3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide has a molecular weight of 275.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 114480039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).