4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide

C19H26N2O3 — CID 95588541

IUPAC4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide
SMILESCc1ccc([C@@H]2C[C@H]2C(=O)NCC2(C(N)=O)CCOCC2)cc1C
InChIInChI=1S/C19H26N2O3/c1-12-3-4-14(9-13(12)2)15-10-16(15)17(22)21-11-19(18(20)23)5-7-24-8-6-19/h3-4,9,15-16H,5-8,10-11H2,1-2H3,(H2,20,23)(H,21,22)/t15-,16+/m0/s1
InChIKeyIPYOKXZFBCPYCD-JKSUJKDBSA-N
MW330.43 g/mol
LogP1.81
Rot. Bonds5

About 4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide

4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide (PubChem CID 95588541) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide
PubChem CID95588541
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide
SMILESCc1ccc([C@@H]2C[C@H]2C(=O)NCC2(C(N)=O)CCOCC2)cc1C
InChIInChI=1S/C19H26N2O3/c1-12-3-4-14(9-13(12)2)15-10-16(15)17(22)21-11-19(18(20)23)5-7-24-8-6-19/h3-4,9,15-16H,5-8,10-11H2,1-2H3,(H2,20,23)(H,21,22)/t15-,16+/m0/s1
InChIKeyIPYOKXZFBCPYCD-JKSUJKDBSA-N
XLogP1.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide with MolForge

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Related Compounds

4-[[[(1R,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide
CID 95776553
4-[[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120543133
(2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-phenyloxane-3-carboxamide
CID 94661285
2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 146154687
(2R,3R)-N-[(4-carbamoyloxan-4-yl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94448404
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
4-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542776
cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 95589019
cis-(1S,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 100843088
4-[[[N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]amino]methyl]oxane-4-carboxamide
CID 111069170
4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide
CID 136577715
2-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119433012

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide (CID 95588541) is 4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide is Cc1ccc([C@@H]2C[C@H]2C(=O)NCC2(C(N)=O)CCOCC2)cc1C.
What is the InChIKey of 4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide?
The InChIKey is IPYOKXZFBCPYCD-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12-3-4-14(9-13(12)2)15-10-16(15)17(22)21-11-19(18(20)23)5-7-24-8-6-19/h3-4,9,15-16H,5-8,10-11H2,1-2H3,(H2,20,23)(H,21,22)/t15-,16+/m0/s1.
What are the key properties of 4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide?
4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 95588541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).