3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide

C16H25N3O — CID 82177202

IUPAC3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
SMILESCC(C)N(C(=O)c1cccc(N(C)C)c1)C1CCNC1
InChIInChI=1S/C16H25N3O/c1-12(2)19(15-8-9-17-11-15)16(20)13-6-5-7-14(10-13)18(3)4/h5-7,10,12,15,17H,8-9,11H2,1-4H3
InChIKeyBOIBOVOSFLNUJZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.97
Rot. Bonds4

About 3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide

3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide (PubChem CID 82177202) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
PubChem CID82177202
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
SMILESCC(C)N(C(=O)c1cccc(N(C)C)c1)C1CCNC1
InChIInChI=1S/C16H25N3O/c1-12(2)19(15-8-9-17-11-15)16(20)13-6-5-7-14(10-13)18(3)4/h5-7,10,12,15,17H,8-9,11H2,1-4H3
InChIKeyBOIBOVOSFLNUJZ-UHFFFAOYSA-N
XLogP1.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-nitro-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177207
1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119552240
4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177255
N-cyclopropyl-3-(dimethylamino)-N-methylbenzamide
CID 110744271
N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide
CID 82177176
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
2-[methyl(pyrrolidin-3-yl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 63298363
3-(dimethylamino)-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955769
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide (CID 82177202) is 3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide is CC(C)N(C(=O)c1cccc(N(C)C)c1)C1CCNC1.
What is the InChIKey of 3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is BOIBOVOSFLNUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)19(15-8-9-17-11-15)16(20)13-6-5-7-14(10-13)18(3)4/h5-7,10,12,15,17H,8-9,11H2,1-4H3.
What are the key properties of 3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide?
3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 82177202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).