benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate

C27H24N4O4 — CID 23449753

IUPACbenzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate
SMILESO=C(NCC1CC1C(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1)OCc1ccccc1
InChIInChI=1S/C27H24N4O4/c32-25(23-14-19(23)15-28-27(34)35-16-17-7-2-1-3-8-17)29-20-10-6-9-18(13-20)24-21-11-4-5-12-22(21)26(33)31-30-24/h1-13,19,23H,14-16H2,(H,28,34)(H,29,32)(H,31,33)
InChIKeyWBPZRYGLABJAHX-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.09
Rot. Bonds7

About benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate

benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate (PubChem CID 23449753) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate
PubChem CID23449753
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Namebenzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate
SMILESO=C(NCC1CC1C(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1)OCc1ccccc1
InChIInChI=1S/C27H24N4O4/c32-25(23-14-19(23)15-28-27(34)35-16-17-7-2-1-3-8-17)29-20-10-6-9-18(13-20)24-21-11-4-5-12-22(21)26(33)31-30-24/h1-13,19,23H,14-16H2,(H,28,34)(H,29,32)(H,31,33)
InChIKeyWBPZRYGLABJAHX-UHFFFAOYSA-N
XLogP4.09
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[4-[3-(4-oxo-3H-phthalazin-1-yl)anilino]but-3-enyl]carbamate
CID 142651575
benzyl N-(oxolan-3-yl)-N-[5-oxo-5-[3-(4-oxo-3H-phthalazin-1-yl)anilino]pentyl]carbamate
CID 23449718
tert-butyl N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamate
CID 157040003
benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
CID 11176634
2-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 23449590
1-(3-aminopropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea
CID 23449507
7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide
CID 23449614
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-2-propoxyacetamide
CID 142008536
4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
CID 23449483
4-cyano-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
CID 23449518
benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate
CID 69455097
benzyl N-[[(3S,4S)-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 131116805

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate?
The IUPAC name of benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate (CID 23449753) is benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate is O=C(NCC1CC1C(=O)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate?
The InChIKey is WBPZRYGLABJAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c32-25(23-14-19(23)15-28-27(34)35-16-17-7-2-1-3-8-17)29-20-10-6-9-18(13-20)24-21-11-4-5-12-22(21)26(33)31-30-24/h1-13,19,23H,14-16H2,(H,28,34)(H,29,32)(H,31,33).
What are the key properties of benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate?
benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate has a molecular weight of 468.51 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate is sourced from PubChem (CID 23449753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).