4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide

C16H24N2O2 — CID 82177255

IUPAC4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
SMILESCCOc1ccc(C(=O)N(C(C)C)C2CCNC2)cc1
InChIInChI=1S/C16H24N2O2/c1-4-20-15-7-5-13(6-8-15)16(19)18(12(2)3)14-9-10-17-11-14/h5-8,12,14,17H,4,9-11H2,1-3H3
InChIKeyWLAGCNVBMKUMRV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds5

About 4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide

4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide (PubChem CID 82177255) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
PubChem CID82177255
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
SMILESCCOc1ccc(C(=O)N(C(C)C)C2CCNC2)cc1
InChIInChI=1S/C16H24N2O2/c1-4-20-15-7-5-13(6-8-15)16(19)18(12(2)3)14-9-10-17-11-14/h5-8,12,14,17H,4,9-11H2,1-3H3
InChIKeyWLAGCNVBMKUMRV-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115272269
4-ethoxy-N-ethyl-N-piperidin-3-ylbenzamide
CID 60807243
3-(dimethylamino)-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177202
4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551835
4-ethoxy-N-ethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79698338
4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552321
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide
CID 82177176
3-nitro-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177207
4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24998743

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide (CID 82177255) is 4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide is CCOc1ccc(C(=O)N(C(C)C)C2CCNC2)cc1.
What is the InChIKey of 4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is WLAGCNVBMKUMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-15-7-5-13(6-8-15)16(19)18(12(2)3)14-9-10-17-11-14/h5-8,12,14,17H,4,9-11H2,1-3H3.
What are the key properties of 4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide?
4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 82177255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).