N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide

C23H34N2O3 — CID 51672103

IUPACN-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H34N2O3/c1-15(2)20-10-7-16(3)11-21(20)28-14-22(26)24-13-17-5-4-6-19(12-17)25-23(27)18-8-9-18/h4-6,12,15-16,18,20-21H,7-11,13-14H2,1-3H3,(H,24,26)(H,25,27)/t16-,20+,21-/m1/s1
InChIKeyOWBKRVDSZQUHTB-TYCQWZJGSA-N
MW386.54 g/mol
LogP4.13
Rot. Bonds8

About N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 51672103) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID51672103
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC NameN-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H34N2O3/c1-15(2)20-10-7-16(3)11-21(20)28-14-22(26)24-13-17-5-4-6-19(12-17)25-23(27)18-8-9-18/h4-6,12,15-16,18,20-21H,7-11,13-14H2,1-3H3,(H,24,26)(H,25,27)/t16-,20+,21-/m1/s1
InChIKeyOWBKRVDSZQUHTB-TYCQWZJGSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 42939618
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[[[2-(4-butylphenyl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 24566999
N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 47029916
N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 46420384
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
[3-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethoxy]-2-formylphenyl]boronic acid
CID 166428787
N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
CID 51671329
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 59992252

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide (CID 51672103) is N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is OWBKRVDSZQUHTB-TYCQWZJGSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-15(2)20-10-7-16(3)11-21(20)28-14-22(26)24-13-17-5-4-6-19(12-17)25-23(27)18-8-9-18/h4-6,12,15-16,18,20-21H,7-11,13-14H2,1-3H3,(H,24,26)(H,25,27)/t16-,20+,21-/m1/s1.
What are the key properties of N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 386.54 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 51672103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).