N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide

C19H28N2O — CID 75423563

IUPACN-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCN(C)Cc1cccc(CCNC(=O)C2C3CCCCC32)c1
InChIInChI=1S/C19H28N2O/c1-21(2)13-15-7-5-6-14(12-15)10-11-20-19(22)18-16-8-3-4-9-17(16)18/h5-7,12,16-18H,3-4,8-11,13H2,1-2H3,(H,20,22)
InChIKeyXWSOMYFVBFYROR-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.84
Rot. Bonds6

About N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide

N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 75423563) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID75423563
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCN(C)Cc1cccc(CCNC(=O)C2C3CCCCC32)c1
InChIInChI=1S/C19H28N2O/c1-21(2)13-15-7-5-6-14(12-15)10-11-20-19(22)18-16-8-3-4-9-17(16)18/h5-7,12,16-18H,3-4,8-11,13H2,1-2H3,(H,20,22)
InChIKeyXWSOMYFVBFYROR-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(chloromethyl)phenyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 114302315
N-[[3-(bromomethyl)phenyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 114313140
N-[2-(4-aminophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 81479001
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
3-[2-(cycloheptanecarbonylamino)ethyl]benzoic acid
CID 63795982
3-[2-(cyclohexanecarbonylamino)ethyl]benzoic acid
CID 63795104
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119842564
2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978190
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 108901132
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 75423563) is N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide is CN(C)Cc1cccc(CCNC(=O)C2C3CCCCC32)c1.
What is the InChIKey of N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is XWSOMYFVBFYROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-21(2)13-15-7-5-6-14(12-15)10-11-20-19(22)18-16-8-3-4-9-17(16)18/h5-7,12,16-18H,3-4,8-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(dimethylamino)methyl]phenyl]ethyl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 75423563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).