1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide

C23H24N4O5 — CID 88570087

IUPAC1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(C3(C(N)=O)CC3)cc1)C2
InChIInChI=1S/C23H24N4O5/c1-32-17-7-4-15-11-27(20(29)18(15)10-17)12-19(26-22(31)25-13-28)14-2-5-16(6-3-14)23(8-9-23)21(24)30/h2-7,10,13,19H,8-9,11-12H2,1H3,(H2,24,30)(H2,25,26,28,31)/t19-/m0/s1
InChIKeyGJDZGPRUTHSPSZ-IBGZPJMESA-N
MW436.47 g/mol
LogP1.36
Rot. Bonds8

About 1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide

1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 88570087) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide
PubChem CID88570087
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(C3(C(N)=O)CC3)cc1)C2
InChIInChI=1S/C23H24N4O5/c1-32-17-7-4-15-11-27(20(29)18(15)10-17)12-19(26-22(31)25-13-28)14-2-5-16(6-3-14)23(8-9-23)21(24)30/h2-7,10,13,19H,8-9,11-12H2,1H3,(H2,24,30)(H2,25,26,28,31)/t19-/m0/s1
InChIKeyGJDZGPRUTHSPSZ-IBGZPJMESA-N
XLogP1.36
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide 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

N-[[(1R)-1-(3-chloro-4-hydroxyphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide
CID 89205593
N-[[(1S)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-(1H-pyrazol-5-yl)ethyl]carbamoyl]formamide
CID 89205741
N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide
CID 88973858
N-[[(1R)-1-[4-[7-(cyclopropylmethyl)purin-6-yl]phenyl]-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]carbamoyl]formamide
CID 89093416
N-[[(1R)-2-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethyl]carbamoyl]formamide
CID 88973936
N-[[(2R)-4-(3,5-difluorophenyl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)butan-2-yl]carbamoyl]formamide
CID 88973971
N-[[(2R)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)-4-(2-propan-2-ylphenyl)but-3-yn-2-yl]carbamoyl]formamide
CID 89039899
N-[[(2R)-4-(4,5-difluoro-2-methoxyphenyl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)but-3-yn-2-yl]carbamoyl]formamide
CID 89180289
N-[[(1R)-2-(5-ethoxy-3-oxo-1H-isoindol-2-yl)-1-(2-methylindazol-6-yl)ethyl]carbamoyl]formamide
CID 89197465
N-[[(2R)-4-(2-amino-6-methyl-3-pyridinyl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)but-3-yn-2-yl]carbamoyl]formamide
CID 89039888
1-[4-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]ethynyl]phenyl]cyclopropane-1-carboxamide
CID 76671196
N-[[(1R)-1-[4-(1-methylpyrazol-4-yl)phenyl]-2-(3-oxo-5-phenylmethoxy-1H-isoindol-2-yl)ethyl]carbamoyl]formamide
CID 88974053

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide (CID 88570087) is 1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide is COc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(C3(C(N)=O)CC3)cc1)C2.
What is the InChIKey of 1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is GJDZGPRUTHSPSZ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N4O5/c1-32-17-7-4-15-11-27(20(29)18(15)10-17)12-19(26-22(31)25-13-28)14-2-5-16(6-3-14)23(8-9-23)21(24)30/h2-7,10,13,19H,8-9,11-12H2,1H3,(H2,24,30)(H2,25,26,28,31)/t19-/m0/s1.
What are the key properties of 1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide?
1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-(formylcarbamoylamino)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 88570087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).