N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide

C20H29N3O — CID 122556914

IUPACN-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12
InChIInChI=1S/C20H29N3O/c1-2-22(14-15-6-4-3-5-7-15)20(24)10-11-23-18-8-9-19(23)17-13-21-12-16(17)18/h3-7,16-19,21H,2,8-14H2,1H3/t16-,17+,18-,19+
InChIKeyBHJVTPNSFGWIRW-QGFMHUBQSA-N
MW327.47 g/mol
LogP2.11
Rot. Bonds6

About N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide

N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide (PubChem CID 122556914) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide
PubChem CID122556914
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12
InChIInChI=1S/C20H29N3O/c1-2-22(14-15-6-4-3-5-7-15)20(24)10-11-23-18-8-9-19(23)17-13-21-12-16(17)18/h3-7,16-19,21H,2,8-14H2,1H3/t16-,17+,18-,19+
InChIKeyBHJVTPNSFGWIRW-QGFMHUBQSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate
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N-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
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N-benzyl-5-chloro-N-ethylpentanamide
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CID 109022905
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide?
The IUPAC name of N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide (CID 122556914) is N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide.
What is the SMILES notation for N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide?
The canonical SMILES for N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12.
What is the InChIKey of N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide?
The InChIKey is BHJVTPNSFGWIRW-QGFMHUBQSA-N. The full InChI is InChI=1S/C20H29N3O/c1-2-22(14-15-6-4-3-5-7-15)20(24)10-11-23-18-8-9-19(23)17-13-21-12-16(17)18/h3-7,16-19,21H,2,8-14H2,1H3/t16-,17+,18-,19+.
What are the key properties of N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide?
N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide has a molecular weight of 327.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N-ethylpropanamide is sourced from PubChem (CID 122556914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).