(2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide

C16H27ClN2O3 — CID 173261430

IUPAC(2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide
SMILESC=C(Cl)C[C@H](C[C@H](O)C(C)C1CCCCC1)C(=O)NC(N)=O
InChIInChI=1S/C16H27ClN2O3/c1-10(17)8-13(15(21)19-16(18)22)9-14(20)11(2)12-6-4-3-5-7-12/h11-14,20H,1,3-9H2,2H3,(H3,18,19,21,22)/t11?,13-,14+/m1/s1
InChIKeyZUWFHAPBUVDKEW-WLPIGLKUSA-N
MW330.86 g/mol
LogP2.91
Rot. Bonds7

About (2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide

(2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide (PubChem CID 173261430) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is (2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide.

Molecular Properties

Compound Name(2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide
PubChem CID173261430
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name(2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide
SMILESC=C(Cl)C[C@H](C[C@H](O)C(C)C1CCCCC1)C(=O)NC(N)=O
InChIInChI=1S/C16H27ClN2O3/c1-10(17)8-13(15(21)19-16(18)22)9-14(20)11(2)12-6-4-3-5-7-12/h11-14,20H,1,3-9H2,2H3,(H3,18,19,21,22)/t11?,13-,14+/m1/s1
InChIKeyZUWFHAPBUVDKEW-WLPIGLKUSA-N
XLogP2.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide?
The IUPAC name of (2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide (CID 173261430) is (2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide.
What is the SMILES notation for (2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide?
The canonical SMILES for (2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide is C=C(Cl)C[C@H](C[C@H](O)C(C)C1CCCCC1)C(=O)NC(N)=O.
What is the InChIKey of (2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide?
The InChIKey is ZUWFHAPBUVDKEW-WLPIGLKUSA-N. The full InChI is InChI=1S/C16H27ClN2O3/c1-10(17)8-13(15(21)19-16(18)22)9-14(20)11(2)12-6-4-3-5-7-12/h11-14,20H,1,3-9H2,2H3,(H3,18,19,21,22)/t11?,13-,14+/m1/s1.
What are the key properties of (2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide?
(2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide has a molecular weight of 330.86 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide is sourced from PubChem (CID 173261430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).