(2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide

C20H29ClN2O3 — CID 21345528

IUPAC(2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide
SMILESNC(=O)NC(=O)[C@H](CC1CCCCC1)C[C@@H](O)CCc1ccc(Cl)cc1
InChIInChI=1S/C20H29ClN2O3/c21-17-9-6-14(7-10-17)8-11-18(24)13-16(19(25)23-20(22)26)12-15-4-2-1-3-5-15/h6-7,9-10,15-16,18,24H,1-5,8,11-13H2,(H3,22,23,25,26)/t16-,18+/m1/s1
InChIKeyCIUWUYOEIOOEKJ-AEFFLSMTSA-N
MW380.92 g/mol
LogP3.81
Rot. Bonds8

About (2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide

(2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide (PubChem CID 21345528) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is (2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide.

Molecular Properties

Compound Name(2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide
PubChem CID21345528
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Name(2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide
SMILESNC(=O)NC(=O)[C@H](CC1CCCCC1)C[C@@H](O)CCc1ccc(Cl)cc1
InChIInChI=1S/C20H29ClN2O3/c21-17-9-6-14(7-10-17)8-11-18(24)13-16(19(25)23-20(22)26)12-15-4-2-1-3-5-15/h6-7,9-10,15-16,18,24H,1-5,8,11-13H2,(H3,22,23,25,26)/t16-,18+/m1/s1
InChIKeyCIUWUYOEIOOEKJ-AEFFLSMTSA-N
XLogP3.81
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide?
The IUPAC name of (2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide (CID 21345528) is (2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide.
What is the SMILES notation for (2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide?
The canonical SMILES for (2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide is NC(=O)NC(=O)[C@H](CC1CCCCC1)C[C@@H](O)CCc1ccc(Cl)cc1.
What is the InChIKey of (2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide?
The InChIKey is CIUWUYOEIOOEKJ-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H29ClN2O3/c21-17-9-6-14(7-10-17)8-11-18(24)13-16(19(25)23-20(22)26)12-15-4-2-1-3-5-15/h6-7,9-10,15-16,18,24H,1-5,8,11-13H2,(H3,22,23,25,26)/t16-,18+/m1/s1.
What are the key properties of (2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide?
(2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide has a molecular weight of 380.92 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-carbamoyl-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxyhexanamide is sourced from PubChem (CID 21345528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).