3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide

C16H24N2O2 — CID 114793671

IUPAC3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCC(C)Oc1cccc(C(=O)NCCC2CCCN2)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)20-15-7-3-5-13(11-15)16(19)18-10-8-14-6-4-9-17-14/h3,5,7,11-12,14,17H,4,6,8-10H2,1-2H3,(H,18,19)
InChIKeyPIKYYSWYTDOHIE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.35
Rot. Bonds6

About 3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide

3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide (PubChem CID 114793671) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide
PubChem CID114793671
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCC(C)Oc1cccc(C(=O)NCCC2CCCN2)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)20-15-7-3-5-13(11-15)16(19)18-10-8-14-6-4-9-17-14/h3,5,7,11-12,14,17H,4,6,8-10H2,1-2H3,(H,18,19)
InChIKeyPIKYYSWYTDOHIE-UHFFFAOYSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
CID 62919974
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
CID 104955014
3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 116563717
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
N-(2-methylpropyl)-3-(pyrrolidin-2-ylmethoxy)benzamide
CID 141311603
3-ethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513246
4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793978
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)benzamide;hydrochloride
CID 154909146
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-6-carboxamide
CID 104971741
3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955125
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide?
The IUPAC name of 3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide (CID 114793671) is 3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide.
What is the SMILES notation for 3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide?
The canonical SMILES for 3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide is CC(C)Oc1cccc(C(=O)NCCC2CCCN2)c1.
What is the InChIKey of 3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide?
The InChIKey is PIKYYSWYTDOHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)20-15-7-3-5-13(11-15)16(19)18-10-8-14-6-4-9-17-14/h3,5,7,11-12,14,17H,4,6,8-10H2,1-2H3,(H,18,19).
What are the key properties of 3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide?
3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide is sourced from PubChem (CID 114793671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).