3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide

C19H24N4O2 — CID 154771793

IUPAC3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
SMILESC#CCCC1(CCC(=O)Nc2ccc(N3CCOCC3)c(C)c2)N=N1
InChIInChI=1S/C19H24N4O2/c1-3-4-8-19(21-22-19)9-7-18(24)20-16-5-6-17(15(2)14-16)23-10-12-25-13-11-23/h1,5-6,14H,4,7-13H2,2H3,(H,20,24)
InChIKeyQDCZAWULEAKTGF-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.13
Rot. Bonds7

About 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide

3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide (PubChem CID 154771793) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
PubChem CID154771793
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
SMILESC#CCCC1(CCC(=O)Nc2ccc(N3CCOCC3)c(C)c2)N=N1
InChIInChI=1S/C19H24N4O2/c1-3-4-8-19(21-22-19)9-7-18(24)20-16-5-6-17(15(2)14-16)23-10-12-25-13-11-23/h1,5-6,14H,4,7-13H2,2H3,(H,20,24)
InChIKeyQDCZAWULEAKTGF-UHFFFAOYSA-N
XLogP3.13
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
2-methyl-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896215
N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide
CID 87236086
3-(3-but-3-ynyldiazirin-3-yl)-N-[4-(methanesulfonamido)phenyl]propanamide
CID 167985239
3-(3-but-3-ynyldiazirin-3-yl)-N-[5-(4-methylpiperazin-1-yl)isoquinolin-8-yl]propanamide
CID 166418145
4-(3-carbamoyl-4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 26833116
N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649726
4-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 166417842
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrimidin-4-yloxyphenyl)propanamide
CID 166409456
4-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-5-fluoro-2-methoxybenzoic acid
CID 167901371

Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide (CID 154771793) is 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide is C#CCCC1(CCC(=O)Nc2ccc(N3CCOCC3)c(C)c2)N=N1.
What is the InChIKey of 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide?
The InChIKey is QDCZAWULEAKTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-4-8-19(21-22-19)9-7-18(24)20-16-5-6-17(15(2)14-16)23-10-12-25-13-11-23/h1,5-6,14H,4,7-13H2,2H3,(H,20,24).
What are the key properties of 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide?
3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide has a molecular weight of 340.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 154771793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).