(4S)-4-methyl-5-oxo-N-trityldec-9-enamide

C30H33NO2 — CID 148701312

IUPAC(4S)-4-methyl-5-oxo-N-trityldec-9-enamide
SMILESC=CCCCC(=O)[C@@H](C)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NO2/c1-3-4-8-21-28(32)24(2)22-23-29(33)31-30(25-15-9-5-10-16-25,26-17-11-6-12-18-26)27-19-13-7-14-20-27/h3,5-7,9-20,24H,1,4,8,21-23H2,2H3,(H,31,33)/t24-/m0/s1
InChIKeyNVKLVOYKMLCOPJ-DEOSSOPVSA-N
MW439.60 g/mol
LogP6.44
Rot. Bonds12

About (4S)-4-methyl-5-oxo-N-trityldec-9-enamide

(4S)-4-methyl-5-oxo-N-trityldec-9-enamide (PubChem CID 148701312) has the molecular formula C30H33NO2 and a molecular weight of 439.60 g/mol. Its IUPAC name is (4S)-4-methyl-5-oxo-N-trityldec-9-enamide.

Molecular Properties

Compound Name(4S)-4-methyl-5-oxo-N-trityldec-9-enamide
PubChem CID148701312
Molecular FormulaC30H33NO2
Molecular Weight439.60 g/mol
Exact Mass439.25
IUPAC Name(4S)-4-methyl-5-oxo-N-trityldec-9-enamide
SMILESC=CCCCC(=O)[C@@H](C)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NO2/c1-3-4-8-21-28(32)24(2)22-23-29(33)31-30(25-15-9-5-10-16-25,26-17-11-6-12-18-26)27-19-13-7-14-20-27/h3,5-7,9-20,24H,1,4,8,21-23H2,2H3,(H,31,33)/t24-/m0/s1
InChIKeyNVKLVOYKMLCOPJ-DEOSSOPVSA-N
XLogP6.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methyl-4-oxo-N-tritylnon-8-enamide
CID 160543510
N-tritylpentanamide
CID 71163215
(2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid
CID 153277346
fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid
CID 166481771
(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid
CID 7408406
2-(pent-4-enoylamino)-2-phenylpropanoic acid
CID 62679681
(3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid
CID 121225741
(2S)-2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]-5-oxo-5-(tritylamino)pentanoic acid
CID 175945312
tert-butyl N-[(2S)-1-(but-3-enylamino)-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate
CID 140727812
1-methoxy-1-phenylhept-6-en-2-one
CID 116751531
(2S)-2-azaniumyl-5-[[(4-methylphenyl)-diphenylmethyl]amino]-5-oxopentanoate
CID 7408429
N-tert-butylhex-5-enamide
CID 15640339

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-5-oxo-N-trityldec-9-enamide?
The IUPAC name of (4S)-4-methyl-5-oxo-N-trityldec-9-enamide (CID 148701312) is (4S)-4-methyl-5-oxo-N-trityldec-9-enamide.
What is the SMILES notation for (4S)-4-methyl-5-oxo-N-trityldec-9-enamide?
The canonical SMILES for (4S)-4-methyl-5-oxo-N-trityldec-9-enamide is C=CCCCC(=O)[C@@H](C)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-methyl-5-oxo-N-trityldec-9-enamide?
The InChIKey is NVKLVOYKMLCOPJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H33NO2/c1-3-4-8-21-28(32)24(2)22-23-29(33)31-30(25-15-9-5-10-16-25,26-17-11-6-12-18-26)27-19-13-7-14-20-27/h3,5-7,9-20,24H,1,4,8,21-23H2,2H3,(H,31,33)/t24-/m0/s1.
What are the key properties of (4S)-4-methyl-5-oxo-N-trityldec-9-enamide?
(4S)-4-methyl-5-oxo-N-trityldec-9-enamide has a molecular weight of 439.60 g/mol, XLogP of 6.44, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-5-oxo-N-trityldec-9-enamide is sourced from PubChem (CID 148701312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).