N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide

C16H23N3O2 — CID 45106837

IUPACN-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)N(C)C(C)CCc2ccco2)n1
InChIInChI=1S/C16H23N3O2/c1-13-8-10-19(17-13)11-9-16(20)18(3)14(2)6-7-15-5-4-12-21-15/h4-5,8,10,12,14H,6-7,9,11H2,1-3H3
InChIKeyMPCTZRKEXUZWQK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.65
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide

N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 45106837) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID45106837
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)N(C)C(C)CCc2ccco2)n1
InChIInChI=1S/C16H23N3O2/c1-13-8-10-19(17-13)11-9-16(20)18(3)14(2)6-7-15-5-4-12-21-15/h4-5,8,10,12,14H,6-7,9,11H2,1-3H3
InChIKeyMPCTZRKEXUZWQK-UHFFFAOYSA-N
XLogP2.65
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide (CID 45106837) is N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)N(C)C(C)CCc2ccco2)n1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is MPCTZRKEXUZWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13-8-10-19(17-13)11-9-16(20)18(3)14(2)6-7-15-5-4-12-21-15/h4-5,8,10,12,14H,6-7,9,11H2,1-3H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide?
N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-N-methyl-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 45106837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).