N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide

C20H19N3O4 — CID 40672251

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C20H19N3O4/c24-18(21-16-10-12-27-17-8-4-3-7-15(16)17)9-11-23-20(26)14-6-2-1-5-13(14)19(25)22-23/h1-8,16H,9-12H2,(H,21,24)(H,22,25)/t16-/m1/s1
InChIKeyYLGYRSHFSDZAIR-MRXNPFEDSA-N
MW365.39 g/mol
LogP1.72
Rot. Bonds4

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide (PubChem CID 40672251) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
PubChem CID40672251
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C20H19N3O4/c24-18(21-16-10-12-27-17-8-4-3-7-15(16)17)9-11-23-20(26)14-6-2-1-5-13(14)19(25)22-23/h1-8,16H,9-12H2,(H,21,24)(H,22,25)/t16-/m1/s1
InChIKeyYLGYRSHFSDZAIR-MRXNPFEDSA-N
XLogP1.72
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711278
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135739396
N-(cyclopentylmethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 39210877
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31336256
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 94017682
N-(3,4-dihydro-2H-chromen-4-yl)-2-naphthalen-1-ylacetamide
CID 18115215
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9159657
N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 18121783

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide (CID 40672251) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide is O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The InChIKey is YLGYRSHFSDZAIR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-18(21-16-10-12-27-17-8-4-3-7-15(16)17)9-11-23-20(26)14-6-2-1-5-13(14)19(25)22-23/h1-8,16H,9-12H2,(H,21,24)(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide has a molecular weight of 365.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide is sourced from PubChem (CID 40672251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).