N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide

C20H27N3O2 — CID 156607502

IUPACN-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
SMILESCN(C)C(=O)Cc1ccccc1NC(=O)N1CC2C3CCC(C3)C2C1
InChIInChI=1S/C20H27N3O2/c1-22(2)19(24)10-15-5-3-4-6-18(15)21-20(25)23-11-16-13-7-8-14(9-13)17(16)12-23/h3-6,13-14,16-17H,7-12H2,1-2H3,(H,21,25)
InChIKeyVLJDDXWJIDIBCC-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.83
Rot. Bonds3

About N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide

N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide (PubChem CID 156607502) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
PubChem CID156607502
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
SMILESCN(C)C(=O)Cc1ccccc1NC(=O)N1CC2C3CCC(C3)C2C1
InChIInChI=1S/C20H27N3O2/c1-22(2)19(24)10-15-5-3-4-6-18(15)21-20(25)23-11-16-13-7-8-14(9-13)17(16)12-23/h3-6,13-14,16-17H,7-12H2,1-2H3,(H,21,25)
InChIKeyVLJDDXWJIDIBCC-UHFFFAOYSA-N
XLogP2.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60577965
3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 71992527
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71886567
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide
CID 95258985
N,N-dimethyl-2-[2-(thian-4-ylamino)phenyl]acetamide
CID 84593860
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
CID 60576974
2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682828
2-[2-[[cyclopropyl-[(2S,3S)-3-methylpentan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 95635900
(1R,2R,6S,7S)-N-(3-acetamido-4-fluorophenyl)-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
CID 72855276
2-[2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylacetamide
CID 47077671

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide (CID 156607502) is N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide is CN(C)C(=O)Cc1ccccc1NC(=O)N1CC2C3CCC(C3)C2C1.
What is the InChIKey of N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide?
The InChIKey is VLJDDXWJIDIBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-22(2)19(24)10-15-5-3-4-6-18(15)21-20(25)23-11-16-13-7-8-14(9-13)17(16)12-23/h3-6,13-14,16-17H,7-12H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide?
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide is sourced from PubChem (CID 156607502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).