N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide

C25H33N3O — CID 18735112

IUPACN-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide
SMILESCCC1c2ccccc2CCC1NCCN1CCC(NC(=O)c2ccccc2)C1
InChIInChI=1S/C25H33N3O/c1-2-22-23-11-7-6-8-19(23)12-13-24(22)26-15-17-28-16-14-21(18-28)27-25(29)20-9-4-3-5-10-20/h3-11,21-22,24,26H,2,12-18H2,1H3,(H,27,29)
InChIKeyBRSWIMQQJZYXRS-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.59
Rot. Bonds7

About N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide

N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide (PubChem CID 18735112) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide
PubChem CID18735112
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC NameN-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide
SMILESCCC1c2ccccc2CCC1NCCN1CCC(NC(=O)c2ccccc2)C1
InChIInChI=1S/C25H33N3O/c1-2-22-23-11-7-6-8-19(23)12-13-24(22)26-15-17-28-16-14-21(18-28)27-25(29)20-9-4-3-5-10-20/h3-11,21-22,24,26H,2,12-18H2,1H3,(H,27,29)
InChIKeyBRSWIMQQJZYXRS-UHFFFAOYSA-N
XLogP3.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide (CID 18735112) is N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide is CCC1c2ccccc2CCC1NCCN1CCC(NC(=O)c2ccccc2)C1.
What is the InChIKey of N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide?
The InChIKey is BRSWIMQQJZYXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-2-22-23-11-7-6-8-19(23)12-13-24(22)26-15-17-28-16-14-21(18-28)27-25(29)20-9-4-3-5-10-20/h3-11,21-22,24,26H,2,12-18H2,1H3,(H,27,29).
What are the key properties of N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide?
N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide has a molecular weight of 391.56 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 18735112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).