N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide

C18H26N2O4 — CID 42780281

IUPACN-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NC2CC2)CC2CCCO2)c(C)o1
InChIInChI=1S/C18H26N2O4/c1-12-10-16(13(2)24-12)18(22)20(11-15-4-3-9-23-15)8-7-17(21)19-14-5-6-14/h10,14-15H,3-9,11H2,1-2H3,(H,19,21)
InChIKeySZTNFAQYHYRKIJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.19
Rot. Bonds7

About N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide

N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide (PubChem CID 42780281) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
PubChem CID42780281
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)N(CCC(=O)NC2CC2)CC2CCCO2)c(C)o1
InChIInChI=1S/C18H26N2O4/c1-12-10-16(13(2)24-12)18(22)20(11-15-4-3-9-23-15)8-7-17(21)19-14-5-6-14/h10,14-15H,3-9,11H2,1-2H3,(H,19,21)
InChIKeySZTNFAQYHYRKIJ-UHFFFAOYSA-N
XLogP2.19
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 4104784
N-[3-(cyclopropylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780190
N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93143908
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 8012550
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2,5-dimethylfuran-3-carboxylate
CID 2380061
2-methyl-N-[[(2S)-oxan-2-yl]methyl]-N-propyl-5-sulfamoylfuran-3-carboxamide
CID 129358518
5-methyl-N-[3-(4-methylanilino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93019723
3-[(3,5-dimethoxy-4-methylbenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154089
3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154192
N-[3-(dipropylamino)-3-oxopropyl]-2-methyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780309
methyl 3-[(5-methyl-1H-pyrazole-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 78964050

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide (CID 42780281) is N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide is Cc1cc(C(=O)N(CCC(=O)NC2CC2)CC2CCCO2)c(C)o1.
What is the InChIKey of N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide?
The InChIKey is SZTNFAQYHYRKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12-10-16(13(2)24-12)18(22)20(11-15-4-3-9-23-15)8-7-17(21)19-14-5-6-14/h10,14-15H,3-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide?
N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)-3-oxopropyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 42780281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).