N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide

C16H19NO3 — CID 18162458

IUPACN-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C)CCc1ccco1
InChIInChI=1S/C16H19NO3/c1-12(9-10-13-6-5-11-20-13)17-16(18)14-7-3-4-8-15(14)19-2/h3-8,11-12H,9-10H2,1-2H3,(H,17,18)
InChIKeyVRJCQOISGCGHCO-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.04
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide

N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide (PubChem CID 18162458) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
PubChem CID18162458
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C)CCc1ccco1
InChIInChI=1S/C16H19NO3/c1-12(9-10-13-6-5-11-20-13)17-16(18)14-7-3-4-8-15(14)19-2/h3-8,11-12H,9-10H2,1-2H3,(H,17,18)
InChIKeyVRJCQOISGCGHCO-UHFFFAOYSA-N
XLogP3.04
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(2-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 95159935
N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 79671902
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
CID 79769993
4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide
CID 115745188
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-morpholin-4-ylbenzamide
CID 95132894
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
CID 58370506
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 47097123
2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide
CID 24641935

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide (CID 18162458) is N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(C)CCc1ccco1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide?
The InChIKey is VRJCQOISGCGHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12(9-10-13-6-5-11-20-13)17-16(18)14-7-3-4-8-15(14)19-2/h3-8,11-12H,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide?
N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide has a molecular weight of 273.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 18162458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).