3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide

C22H27N3O3 — CID 55809322

IUPAC3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)c1
InChIInChI=1S/C22H27N3O3/c1-14-10-19(14)20-9-8-18(28-20)13-25(17-6-7-17)22(27)24-12-15-4-3-5-16(11-15)21(26)23-2/h3-5,8-9,11,14,17,19H,6-7,10,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyGQBLACJEEVCYQV-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.64
Rot. Bonds7

About 3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide

3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide (PubChem CID 55809322) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide
PubChem CID55809322
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)c1
InChIInChI=1S/C22H27N3O3/c1-14-10-19(14)20-9-8-18(28-20)13-25(17-6-7-17)22(27)24-12-15-4-3-5-16(11-15)21(26)23-2/h3-5,8-9,11,14,17,19H,6-7,10,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyGQBLACJEEVCYQV-UHFFFAOYSA-N
XLogP3.64
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide with MolForge

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Related Compounds

N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide
CID 94021194
1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 94160880
1-cyclopropyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea
CID 55929496
1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea
CID 71938740
1-cyclopropyl-3-(3-ethylsulfonylphenyl)-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea
CID 86973127
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 55854264
N-cyclopropyl-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 51079314
2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549379
N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94578733
1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94182837
1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea
CID 55766886
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719955

Frequently Asked Questions

What is the IUPAC name of 3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide (CID 55809322) is 3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNC(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)c1.
What is the InChIKey of 3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide?
The InChIKey is GQBLACJEEVCYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14-10-19(14)20-9-8-18(28-20)13-25(17-6-7-17)22(27)24-12-15-4-3-5-16(11-15)21(26)23-2/h3-5,8-9,11,14,17,19H,6-7,10,12-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide?
3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 55809322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).