(2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide

C24H30N2O2 — CID 101165108

IUPAC(2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide
SMILESC=CC[C@](C(=O)N(C)C)(c1ccccc1)[C@@H](CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-6-17-24(23(28)26(4)5,20-15-11-8-12-16-20)21(18-22(27)25(2)3)19-13-9-7-10-14-19/h6-16,21H,1,17-18H2,2-5H3/t21-,24-/m0/s1
InChIKeyOILIVEUFFPQAMI-URXFXBBRSA-N
MW378.52 g/mol
LogP3.85
Rot. Bonds8

About (2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide

(2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide (PubChem CID 101165108) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide.

Molecular Properties

Compound Name(2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide
PubChem CID101165108
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide
SMILESC=CC[C@](C(=O)N(C)C)(c1ccccc1)[C@@H](CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-6-17-24(23(28)26(4)5,20-15-11-8-12-16-20)21(18-22(27)25(2)3)19-13-9-7-10-14-19/h6-16,21H,1,17-18H2,2-5H3/t21-,24-/m0/s1
InChIKeyOILIVEUFFPQAMI-URXFXBBRSA-N
XLogP3.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide
CID 101165091
(3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide
CID 101165082
[(2S,3R)-2-cyano-5-(dimethylamino)-5-oxo-2,3-diphenylpentyl] acetate
CID 101165086
methyl (3S,4S)-3-cyano-6-(dimethylamino)-6-oxo-3,4-diphenylhexanoate
CID 23247637
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
(2R,3S)-3-amino-2-phenyl-2-prop-2-enyloctanoic acid
CID 134957899
(3R)-N-[3-(dimethylamino)-3-oxopropyl]-4,4,4-trifluoro-3-phenylbutanamide
CID 95273109
2-(3-oxo-1,3-diphenylpropyl)-2-prop-2-enylpropanedinitrile
CID 102400621
4-(dimethylamino)-4-oxo-2-phenylbutanoic acid;methanesulfonic acid
CID 175181056
3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide
CID 102147657
N,N,N',N'-tetramethyl-2,2-bis(prop-2-enyl)propanediamide
CID 87328537
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide?
The IUPAC name of (2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide (CID 101165108) is (2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide.
What is the SMILES notation for (2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide?
The canonical SMILES for (2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide is C=CC[C@](C(=O)N(C)C)(c1ccccc1)[C@@H](CC(=O)N(C)C)c1ccccc1.
What is the InChIKey of (2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide?
The InChIKey is OILIVEUFFPQAMI-URXFXBBRSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-6-17-24(23(28)26(4)5,20-15-11-8-12-16-20)21(18-22(27)25(2)3)19-13-9-7-10-14-19/h6-16,21H,1,17-18H2,2-5H3/t21-,24-/m0/s1.
What are the key properties of (2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide?
(2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide has a molecular weight of 378.52 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide is sourced from PubChem (CID 101165108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).