3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H25N3O2 — CID 119719010

IUPAC3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C18H25N3O2/c1-21(2)15(22)9-11-3-7-14(8-4-11)20-18(23)16-12-5-6-13(10-12)17(16)19/h3-4,7-8,12-13,16-17H,5-6,9-10,19H2,1-2H3,(H,20,23)
InChIKeyFIHHNHIRGXCJGW-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.63
Rot. Bonds4

About 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119719010) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119719010
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)C(=O)Cc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C18H25N3O2/c1-21(2)15(22)9-11-3-7-14(8-4-11)20-18(23)16-12-5-6-13(10-12)17(16)19/h3-4,7-8,12-13,16-17H,5-6,9-10,19H2,1-2H3,(H,20,23)
InChIKeyFIHHNHIRGXCJGW-UHFFFAOYSA-N
XLogP1.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119684897
methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate
CID 119775677
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119719008
(1R,2S,3R,4R)-3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98449072
3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714116
3-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119718964
3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119832040
3-amino-N-[4-(1-phenylethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119743286
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435
ethyl 2-[[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]benzoyl]amino]propanoate
CID 119806763
3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119740941
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119286915

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119719010) is 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide is CN(C)C(=O)Cc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1.
What is the InChIKey of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is FIHHNHIRGXCJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-21(2)15(22)9-11-3-7-14(8-4-11)20-18(23)16-12-5-6-13(10-12)17(16)19/h3-4,7-8,12-13,16-17H,5-6,9-10,19H2,1-2H3,(H,20,23).
What are the key properties of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119719010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).