9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide

C19H26N4O2 — CID 120984492

IUPAC9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)Nc1ccc(N3CCNC3=O)cc1)C2
InChIInChI=1S/C19H26N4O2/c20-17-12-2-1-3-13(17)11-14(10-12)18(24)22-15-4-6-16(7-5-15)23-9-8-21-19(23)25/h4-7,12-14,17H,1-3,8-11,20H2,(H,21,25)(H,22,24)
InChIKeyUSTXMPQLVSMYFX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.31
Rot. Bonds3

About 9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120984492) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120984492
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)Nc1ccc(N3CCNC3=O)cc1)C2
InChIInChI=1S/C19H26N4O2/c20-17-12-2-1-3-13(17)11-14(10-12)18(24)22-15-4-6-16(7-5-15)23-9-8-21-19(23)25/h4-7,12-14,17H,1-3,8-11,20H2,(H,21,25)(H,22,24)
InChIKeyUSTXMPQLVSMYFX-UHFFFAOYSA-N
XLogP2.31
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984328
N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593546
5-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60707111
3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778074
2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 43709823
2-(2-chlorophenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51300234
(2S,5R)-5-(aminomethyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785137
9-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985118
9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983579
N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120989794
(2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119276073
9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984649

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120984492) is 9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)Nc1ccc(N3CCNC3=O)cc1)C2.
What is the InChIKey of 9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is USTXMPQLVSMYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-17-12-2-1-3-13(17)11-14(10-12)18(24)22-15-4-6-16(7-5-15)23-9-8-21-19(23)25/h4-7,12-14,17H,1-3,8-11,20H2,(H,21,25)(H,22,24).
What are the key properties of 9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120984492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).