3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide

C16H25N3O — CID 121367800

IUPAC3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
SMILESCC(C)NCc1cccc(C(=O)NC[C@H]2CCCN2)c1
InChIInChI=1S/C16H25N3O/c1-12(2)18-10-13-5-3-6-14(9-13)16(20)19-11-15-7-4-8-17-15/h3,5-6,9,12,15,17-18H,4,7-8,10-11H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyVRNIGBFLMHJERS-OAHLLOKOSA-N
MW275.40 g/mol
LogP1.67
Rot. Bonds6

About 3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide

3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide (PubChem CID 121367800) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
PubChem CID121367800
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
SMILESCC(C)NCc1cccc(C(=O)NC[C@H]2CCCN2)c1
InChIInChI=1S/C16H25N3O/c1-12(2)18-10-13-5-3-6-14(9-13)16(20)19-11-15-7-4-8-17-15/h3,5-6,9,12,15,17-18H,4,7-8,10-11H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyVRNIGBFLMHJERS-OAHLLOKOSA-N
XLogP1.67
TPSA53.16 Ų
H-Bond Donors3
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 ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide
CID 79540029
3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513593
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
CID 154911098
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
[3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]phenyl]methanol
CID 107229716
N-(piperidin-2-ylmethyl)-3-propoxybenzamide
CID 62919504
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzonitrile
CID 79541717
3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
CID 61366263
3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514860
3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119509919

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide (CID 121367800) is 3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide is CC(C)NCc1cccc(C(=O)NC[C@H]2CCCN2)c1.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide?
The InChIKey is VRNIGBFLMHJERS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)18-10-13-5-3-6-14(9-13)16(20)19-11-15-7-4-8-17-15/h3,5-6,9,12,15,17-18H,4,7-8,10-11H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide?
3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide has a molecular weight of 275.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 121367800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).