(1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide

C13H22N4O2 — CID 155505877

IUPAC(1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)N(C)Cc2ncc[nH]2)CC[C@H]1N
InChIInChI=1S/C13H22N4O2/c1-17(8-12-15-5-6-16-12)13(18)9-3-4-10(14)11(7-9)19-2/h5-6,9-11H,3-4,7-8,14H2,1-2H3,(H,15,16)/t9-,10+,11+/m0/s1
InChIKeyRNCIOWJIFURMAV-HBNTYKKESA-N
MW266.34 g/mol
LogP0.51
Rot. Bonds4

About (1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide

(1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide (PubChem CID 155505877) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide
PubChem CID155505877
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)N(C)Cc2ncc[nH]2)CC[C@H]1N
InChIInChI=1S/C13H22N4O2/c1-17(8-12-15-5-6-16-12)13(18)9-3-4-10(14)11(7-9)19-2/h5-6,9-11H,3-4,7-8,14H2,1-2H3,(H,15,16)/t9-,10+,11+/m0/s1
InChIKeyRNCIOWJIFURMAV-HBNTYKKESA-N
XLogP0.51
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide (CID 155505877) is (1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide is CO[C@@H]1C[C@@H](C(=O)N(C)Cc2ncc[nH]2)CC[C@H]1N.
What is the InChIKey of (1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is RNCIOWJIFURMAV-HBNTYKKESA-N. The full InChI is InChI=1S/C13H22N4O2/c1-17(8-12-15-5-6-16-12)13(18)9-3-4-10(14)11(7-9)19-2/h5-6,9-11H,3-4,7-8,14H2,1-2H3,(H,15,16)/t9-,10+,11+/m0/s1.
What are the key properties of (1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide?
(1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-amino-N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 155505877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).