N-ethyl-4-(methylamino)-5-trityloxypentanamide

C27H32N2O2 — CID 67251109

IUPACN-ethyl-4-(methylamino)-5-trityloxypentanamide
SMILESCCNC(=O)CCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)NC
InChIInChI=1S/C27H32N2O2/c1-3-29-26(30)20-19-25(28-2)21-31-27(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25,28H,3,19-21H2,1-2H3,(H,29,30)
InChIKeyQZTDQLRRWPCBAM-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.50
Rot. Bonds11

About N-ethyl-4-(methylamino)-5-trityloxypentanamide

N-ethyl-4-(methylamino)-5-trityloxypentanamide (PubChem CID 67251109) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-ethyl-4-(methylamino)-5-trityloxypentanamide.

Molecular Properties

Compound NameN-ethyl-4-(methylamino)-5-trityloxypentanamide
PubChem CID67251109
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC NameN-ethyl-4-(methylamino)-5-trityloxypentanamide
SMILESCCNC(=O)CCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)NC
InChIInChI=1S/C27H32N2O2/c1-3-29-26(30)20-19-25(28-2)21-31-27(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25,28H,3,19-21H2,1-2H3,(H,29,30)
InChIKeyQZTDQLRRWPCBAM-UHFFFAOYSA-N
XLogP4.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
Dipeptidyl nitrile, 16a
CID 23648422
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
(S)-(+)-5-(Trityloxymethyl)-2-pyrrolidinone
CID 2733644
N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-3-phenylpropanamide
CID 10765459
Bpoc-Lys(Boc)-Ala-OBn
CID 44522629
N-[1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-formamide
CID 21753663
N-[1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-acetamide
CID 21753665
(2S)-2-amino-1-[(2S)-2-[(benzyloxy)methyl]pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
CID 23645382
Benzyl 2-{[(benzyloxy)carbonyl]amino}-5-{[2-(benzyloxy)-2-oxoethyl]amino}-5-oxopentanoate (non-preferred name)
CID 2883921
2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide
CID 11373377
benzyl (2S)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoate
CID 44281445

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methylamino)-5-trityloxypentanamide?
The IUPAC name of N-ethyl-4-(methylamino)-5-trityloxypentanamide (CID 67251109) is N-ethyl-4-(methylamino)-5-trityloxypentanamide.
What is the SMILES notation for N-ethyl-4-(methylamino)-5-trityloxypentanamide?
The canonical SMILES for N-ethyl-4-(methylamino)-5-trityloxypentanamide is CCNC(=O)CCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)NC.
What is the InChIKey of N-ethyl-4-(methylamino)-5-trityloxypentanamide?
The InChIKey is QZTDQLRRWPCBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-3-29-26(30)20-19-25(28-2)21-31-27(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25,28H,3,19-21H2,1-2H3,(H,29,30).
What are the key properties of N-ethyl-4-(methylamino)-5-trityloxypentanamide?
N-ethyl-4-(methylamino)-5-trityloxypentanamide has a molecular weight of 416.57 g/mol, XLogP of 4.50, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methylamino)-5-trityloxypentanamide is sourced from PubChem (CID 67251109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).