2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide

C24H30N2O3 — CID 11935695

IUPAC2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)[C@@H](C)Oc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H30N2O3/c1-16-10-9-14-21(17(16)2)26-23(27)18(3)29-22-15-8-7-13-20(22)24(28)25-19-11-5-4-6-12-19/h4-8,11-13,15-18,21H,9-10,14H2,1-3H3,(H,25,28)(H,26,27)/t16-,17+,18+,21+/m0/s1
InChIKeyMOMKRXQPPHLBPY-XKGFGPFHSA-N
MW394.51 g/mol
LogP4.65
Rot. Bonds6

About 2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide

2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide (PubChem CID 11935695) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide
PubChem CID11935695
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)[C@@H](C)Oc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H30N2O3/c1-16-10-9-14-21(17(16)2)26-23(27)18(3)29-22-15-8-7-13-20(22)24(28)25-19-11-5-4-6-12-19/h4-8,11-13,15-18,21H,9-10,14H2,1-3H3,(H,25,28)(H,26,27)/t16-,17+,18+,21+/m0/s1
InChIKeyMOMKRXQPPHLBPY-XKGFGPFHSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide with MolForge

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Related Compounds

2-[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 11935692
2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980906
[(2R)-1-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 11926076
N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 112772360
[(2S)-1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-methylbenzoate
CID 11923256
[(2S)-1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 11930702
[(2R)-1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 11930703
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 11915044
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(2-carbamoylphenoxy)acetate
CID 11924556
[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 11925701
2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-4-methoxybenzamide
CID 51926733
2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980902

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The IUPAC name of 2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide (CID 11935695) is 2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide.
What is the SMILES notation for 2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The canonical SMILES for 2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide is C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)[C@@H](C)Oc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The InChIKey is MOMKRXQPPHLBPY-XKGFGPFHSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16-10-9-14-21(17(16)2)26-23(27)18(3)29-22-15-8-7-13-20(22)24(28)25-19-11-5-4-6-12-19/h4-8,11-13,15-18,21H,9-10,14H2,1-3H3,(H,25,28)(H,26,27)/t16-,17+,18+,21+/m0/s1.
What are the key properties of 2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide has a molecular weight of 394.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide is sourced from PubChem (CID 11935695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).