(2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide

C22H24N4O — CID 170459500

IUPAC(2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide
SMILESC#CCCC1(CCNC(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)N=N1
InChIInChI=1S/C22H24N4O/c1-2-3-14-22(25-26-22)15-16-24-21(27)20(23)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h1,4-13,19-20H,3,14-16,23H2,(H,24,27)/t20-/m0/s1
InChIKeyISLWAOXHYFJHRM-FQEVSTJZSA-N
MW360.46 g/mol
LogP3.23
Rot. Bonds9

About (2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide

(2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide (PubChem CID 170459500) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide
PubChem CID170459500
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide
SMILESC#CCCC1(CCNC(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)N=N1
InChIInChI=1S/C22H24N4O/c1-2-3-14-22(25-26-22)15-16-24-21(27)20(23)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h1,4-13,19-20H,3,14-16,23H2,(H,24,27)/t20-/m0/s1
InChIKeyISLWAOXHYFJHRM-FQEVSTJZSA-N
XLogP3.23
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-2-phenylacetamide
CID 167842755
1-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 167956459
(3R)-3-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 166430328
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)oxyacetamide
CID 167921988
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-fluoro-2-pyridinyl)propanamide
CID 167941512
1-benzyl-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 167828326
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 166416650
N-but-3-ynyl-2,2-diphenylacetamide
CID 90537904
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(pyrrolidine-1-carbonyl)benzamide
CID 166409963
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-phenylmethoxyoxane-4-carboxamide
CID 166416568
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 167847486
1-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 166416499

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide (CID 170459500) is (2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide is C#CCCC1(CCNC(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)N=N1.
What is the InChIKey of (2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide?
The InChIKey is ISLWAOXHYFJHRM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-3-14-22(25-26-22)15-16-24-21(27)20(23)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h1,4-13,19-20H,3,14-16,23H2,(H,24,27)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide?
(2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide has a molecular weight of 360.46 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 170459500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).