[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane

C24H27F2N3O6 — CID 68953148

IUPAC[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane
SMILESC1CC1.CCOc1cc(C(CC(N)=O)N2Cc3cccc(NC(=O)O)c3C2=O)ccc1OC(F)F
InChIInChI=1S/C21H21F2N3O6.C3H6/c1-2-31-16-8-11(6-7-15(16)32-20(22)23)14(9-17(24)27)26-10-12-4-3-5-13(25-21(29)30)18(12)19(26)28;1-2-3-1/h3-8,14,20,25H,2,9-10H2,1H3,(H2,24,27)(H,29,30);1-3H2
InChIKeyZQAXWCZODNAJCG-UHFFFAOYSA-N
MW491.49 g/mol
LogP4.52
Rot. Bonds9

About [2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane

[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane (PubChem CID 68953148) has the molecular formula C24H27F2N3O6 and a molecular weight of 491.49 g/mol. Its IUPAC name is [2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane.

Molecular Properties

Compound Name[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane
PubChem CID68953148
Molecular FormulaC24H27F2N3O6
Molecular Weight491.49 g/mol
Exact Mass491.19
IUPAC Name[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane
SMILESC1CC1.CCOc1cc(C(CC(N)=O)N2Cc3cccc(NC(=O)O)c3C2=O)ccc1OC(F)F
InChIInChI=1S/C21H21F2N3O6.C3H6/c1-2-31-16-8-11(6-7-15(16)32-20(22)23)14(9-17(24)27)26-10-12-4-3-5-13(25-21(29)30)18(12)19(26)28;1-2-3-1/h3-8,14,20,25H,2,9-10H2,1H3,(H2,24,27)(H,29,30);1-3H2
InChIKeyZQAXWCZODNAJCG-UHFFFAOYSA-N
XLogP4.52
TPSA131.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.49
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane 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

3-[4-(cyclopropanecarbonylamino)-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propanoic acid
CID 22177176
3-[4-[1-(dimethylamino)ethenylamino]-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylpropanamide
CID 70331545
[[(3S)-3-[4-(cyclopropanecarbonylamino)-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propanoyl]amino] 2,2-dimethylpropanoate
CID 58620214
3-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-1H-isoindol-4-yl]-1,1-dimethylurea
CID 11598090
3-(4-amino-7-chloro-3-oxo-1H-isoindol-2-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide;cyclopropanecarboxylic acid
CID 172682869
(3S)-3-(4-acetamido-1,3-dioxoisoindol-2-yl)-3-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]propanamide
CID 124563407
N-[2-[3-(dimethylamino)-1-(3-ethoxy-4-methoxyphenyl)propyl]-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;hydrochloride
CID 69474028
N-[2-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutyl]-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide
CID 173102543
N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-3-(methanesulfonamido)propyl]-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide
CID 58620213
N-[2-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-3-(methanesulfonamido)propyl]-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide
CID 10413688
methyl 3-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(4-nitro-3-oxo-1H-isoindol-2-yl)propanoate
CID 10390225
N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-1H-isoindol-4-yl]-2-morpholin-4-ylacetamide;hydrochloride
CID 159094651

Frequently Asked Questions

What is the IUPAC name of [2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane?
The IUPAC name of [2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane (CID 68953148) is [2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane.
What is the SMILES notation for [2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane?
The canonical SMILES for [2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane is C1CC1.CCOc1cc(C(CC(N)=O)N2Cc3cccc(NC(=O)O)c3C2=O)ccc1OC(F)F.
What is the InChIKey of [2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane?
The InChIKey is ZQAXWCZODNAJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O6.C3H6/c1-2-31-16-8-11(6-7-15(16)32-20(22)23)14(9-17(24)27)26-10-12-4-3-5-13(25-21(29)30)18(12)19(26)28;1-2-3-1/h3-8,14,20,25H,2,9-10H2,1H3,(H2,24,27)(H,29,30);1-3H2.
What are the key properties of [2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane?
[2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane has a molecular weight of 491.49 g/mol, XLogP of 4.52, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-amino-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-oxopropyl]-3-oxo-1H-isoindol-4-yl]carbamic acid;cyclopropane is sourced from PubChem (CID 68953148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).