N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide

C22H26N4O2 — CID 139905676

IUPACN-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide
SMILESO=C(CCCN1CCOCC1)Nc1cccc(C2=NNCc3ccccc32)c1
InChIInChI=1S/C22H26N4O2/c27-21(9-4-10-26-11-13-28-14-12-26)24-19-7-3-6-17(15-19)22-20-8-2-1-5-18(20)16-23-25-22/h1-3,5-8,15,23H,4,9-14,16H2,(H,24,27)
InChIKeyBJIFTRQWWNFQLY-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.59
Rot. Bonds6

About N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide

N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide (PubChem CID 139905676) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide
PubChem CID139905676
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide
SMILESO=C(CCCN1CCOCC1)Nc1cccc(C2=NNCc3ccccc32)c1
InChIInChI=1S/C22H26N4O2/c27-21(9-4-10-26-11-13-28-14-12-26)24-19-7-3-6-17(15-19)22-20-8-2-1-5-18(20)16-23-25-22/h1-3,5-8,15,23H,4,9-14,16H2,(H,24,27)
InChIKeyBJIFTRQWWNFQLY-UHFFFAOYSA-N
XLogP2.59
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide
CID 87217742
methanesulfonic acid;4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide
CID 87217741
N-(9H-carbazol-2-yl)-4-morpholin-4-ylbutanamide
CID 91294908
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide
CID 66965535
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480
2-(2-morpholin-4-ylethylsulfanyl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide
CID 23449429
3-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-1-oxo-4H-isochromene-3-carboxamide
CID 55887724
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-thiomorpholin-4-ylpentanamide
CID 23449742
N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-6-pyrrolidin-1-ylhexanamide
CID 10150883
2-morpholin-4-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 146124344

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide?
The IUPAC name of N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide (CID 139905676) is N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide.
What is the SMILES notation for N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide?
The canonical SMILES for N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide is O=C(CCCN1CCOCC1)Nc1cccc(C2=NNCc3ccccc32)c1.
What is the InChIKey of N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide?
The InChIKey is BJIFTRQWWNFQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21(9-4-10-26-11-13-28-14-12-26)24-19-7-3-6-17(15-19)22-20-8-2-1-5-18(20)16-23-25-22/h1-3,5-8,15,23H,4,9-14,16H2,(H,24,27).
What are the key properties of N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide?
N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide has a molecular weight of 378.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide is sourced from PubChem (CID 139905676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).