3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide

C19H23N3O3 — CID 71922388

IUPAC3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)N(C2CC2)C(C)c2ccco2)c1C
InChIInChI=1S/C19H23N3O3/c1-12-15(18(23)20-3)6-4-7-16(12)21-19(24)22(14-9-10-14)13(2)17-8-5-11-25-17/h4-8,11,13-14H,9-10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyMGNPQQWQQCFPKJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.71
Rot. Bonds5

About 3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide

3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide (PubChem CID 71922388) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide
PubChem CID71922388
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)N(C2CC2)C(C)c2ccco2)c1C
InChIInChI=1S/C19H23N3O3/c1-12-15(18(23)20-3)6-4-7-16(12)21-19(24)22(14-9-10-14)13(2)17-8-5-11-25-17/h4-8,11,13-14H,9-10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyMGNPQQWQQCFPKJ-UHFFFAOYSA-N
XLogP3.71
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea
CID 71972779
1-cyclohexyl-1-[1-(furan-2-yl)ethyl]-3-phenylurea
CID 4064420
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048743
3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide
CID 60851927
2-cyclopentyl-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60576605
1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048818
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea
CID 97048807
3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 62949238

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide (CID 71922388) is 3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC(=O)N(C2CC2)C(C)c2ccco2)c1C.
What is the InChIKey of 3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide?
The InChIKey is MGNPQQWQQCFPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-15(18(23)20-3)6-4-7-16(12)21-19(24)22(14-9-10-14)13(2)17-8-5-11-25-17/h4-8,11,13-14H,9-10H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide?
3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-[1-(furan-2-yl)ethyl]carbamoyl]amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 71922388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).