(2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide

C28H42N2O2Si — CID 70794968

IUPAC(2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide
SMILESCC[C@@H](C/C=C\NC(=O)[C@@H](N)C(C)(C)C)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42N2O2Si/c1-7-22(15-14-20-30-26(31)25(29)27(2,3)4)21-28(5,6)33(32,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-14,16-20,22,25,32H,7,15,21,29H2,1-6H3,(H,30,31)/b20-14-/t22-,25+/m0/s1
InChIKeyZNCXQKPLDOYHNN-NYKZXWDPSA-N
MW466.74 g/mol
LogP4.33
Rot. Bonds10

About (2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide (PubChem CID 70794968) has the molecular formula C28H42N2O2Si and a molecular weight of 466.74 g/mol. Its IUPAC name is (2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide
PubChem CID70794968
Molecular FormulaC28H42N2O2Si
Molecular Weight466.74 g/mol
Exact Mass466.30
IUPAC Name(2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide
SMILESCC[C@@H](C/C=C\NC(=O)[C@@H](N)C(C)(C)C)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42N2O2Si/c1-7-22(15-14-20-30-26(31)25(29)27(2,3)4)21-28(5,6)33(32,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-14,16-20,22,25,32H,7,15,21,29H2,1-6H3,(H,30,31)/b20-14-/t22-,25+/m0/s1
InChIKeyZNCXQKPLDOYHNN-NYKZXWDPSA-N
XLogP4.33
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.74
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide (CID 70794968) is (2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide is CC[C@@H](C/C=C\NC(=O)[C@@H](N)C(C)(C)C)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide?
The InChIKey is ZNCXQKPLDOYHNN-NYKZXWDPSA-N. The full InChI is InChI=1S/C28H42N2O2Si/c1-7-22(15-14-20-30-26(31)25(29)27(2,3)4)21-28(5,6)33(32,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-14,16-20,22,25,32H,7,15,21,29H2,1-6H3,(H,30,31)/b20-14-/t22-,25+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide has a molecular weight of 466.74 g/mol, XLogP of 4.33, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(Z,4S)-4-ethyl-6-[hydroxy(diphenyl)silyl]-6-methylhept-1-enyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 70794968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).