2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide

C23H27N3O4 — CID 7980906

IUPAC2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
SMILESC[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C23H27N3O4/c1-16(21(27)26-23(29)25-18-12-6-3-7-13-18)30-20-15-9-8-14-19(20)22(28)24-17-10-4-2-5-11-17/h2,4-5,8-11,14-16,18H,3,6-7,12-13H2,1H3,(H,24,28)(H2,25,26,27,29)/t16-/m1/s1
InChIKeyHKJSQCLIRYOOBK-MRXNPFEDSA-N
MW409.49 g/mol
LogP3.86
Rot. Bonds6

About 2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide

2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide (PubChem CID 7980906) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
PubChem CID7980906
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
SMILESC[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C23H27N3O4/c1-16(21(27)26-23(29)25-18-12-6-3-7-13-18)30-20-15-9-8-14-19(20)22(28)24-17-10-4-2-5-11-17/h2,4-5,8-11,14-16,18H,3,6-7,12-13H2,1H3,(H,24,28)(H2,25,26,27,29)/t16-/m1/s1
InChIKeyHKJSQCLIRYOOBK-MRXNPFEDSA-N
XLogP3.86
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
2-[2-(cyclohexylcarbamoylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980853
2-(2-acetylphenoxy)-N-cyclohexylpropanamide
CID 43083117
2-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 11935695
2-[(2R)-1-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 11935692
2-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethoxy]-N-phenylbenzamide
CID 9416652
(2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7653013
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 40674066
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
(2R)-2-(2-acetamidophenoxy)-N-cyclohexylpropanamide
CID 9111099
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The IUPAC name of 2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide (CID 7980906) is 2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide.
What is the SMILES notation for 2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The canonical SMILES for 2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide is C[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The InChIKey is HKJSQCLIRYOOBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16(21(27)26-23(29)25-18-12-6-3-7-13-18)30-20-15-9-8-14-19(20)22(28)24-17-10-4-2-5-11-17/h2,4-5,8-11,14-16,18H,3,6-7,12-13H2,1H3,(H,24,28)(H2,25,26,27,29)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide has a molecular weight of 409.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide is sourced from PubChem (CID 7980906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).