6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide

C20H26N4O2 — CID 89183240

IUPAC6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)NC1C2CN(C(=O)Nc3cc(C4=CCCCC4)ccc3N)CC21
InChIInChI=1S/C20H26N4O2/c1-12(25)22-19-15-10-24(11-16(15)19)20(26)23-18-9-14(7-8-17(18)21)13-5-3-2-4-6-13/h5,7-9,15-16,19H,2-4,6,10-11,21H2,1H3,(H,22,25)(H,23,26)
InChIKeyCBJDNGHBMVGIDR-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.82
Rot. Bonds3

About 6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide

6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 89183240) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID89183240
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)NC1C2CN(C(=O)Nc3cc(C4=CCCCC4)ccc3N)CC21
InChIInChI=1S/C20H26N4O2/c1-12(25)22-19-15-10-24(11-16(15)19)20(26)23-18-9-14(7-8-17(18)21)13-5-3-2-4-6-13/h5,7-9,15-16,19H,2-4,6,10-11,21H2,1H3,(H,22,25)(H,23,26)
InChIKeyCBJDNGHBMVGIDR-UHFFFAOYSA-N
XLogP2.82
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 89183240) is 6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is CC(=O)NC1C2CN(C(=O)Nc3cc(C4=CCCCC4)ccc3N)CC21.
What is the InChIKey of 6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is CBJDNGHBMVGIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-12(25)22-19-15-10-24(11-16(15)19)20(26)23-18-9-14(7-8-17(18)21)13-5-3-2-4-6-13/h5,7-9,15-16,19H,2-4,6,10-11,21H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 89183240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).