N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide

C18H29NO4 — CID 54693661

IUPACN-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide
SMILESCC(C)=CCCC(C)C1=C(O)C(C)(C(=O)NC(C)(C)C)OC1=O
InChIInChI=1S/C18H29NO4/c1-11(2)9-8-10-12(3)13-14(20)18(7,23-15(13)21)16(22)19-17(4,5)6/h9,12,20H,8,10H2,1-7H3,(H,19,22)
InChIKeyQREAEZAFMNDZBA-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.41
Rot. Bonds5

About N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide

N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide (PubChem CID 54693661) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide
PubChem CID54693661
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC NameN-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide
SMILESCC(C)=CCCC(C)C1=C(O)C(C)(C(=O)NC(C)(C)C)OC1=O
InChIInChI=1S/C18H29NO4/c1-11(2)9-8-10-12(3)13-14(20)18(7,23-15(13)21)16(22)19-17(4,5)6/h9,12,20H,8,10H2,1-7H3,(H,19,22)
InChIKeyQREAEZAFMNDZBA-UHFFFAOYSA-N
XLogP3.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-hydroxy-4-(6-methylhept-5-en-2-yl)-5-oxo-2-(2-phenylethyl)furan-2-carboxamide
CID 54693677
4-hydroxy-5-methyl-3-(6-methylhept-5-en-2-yl)cyclohexa-3,5-diene-1,2-dione
CID 14563008
[4-hydroxy-5-methyl-2-(6-methylhept-5-en-2-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl] 3-methylbutanoate
CID 162981815
2-(1-hydroxyethyl)-6-methylhept-5-enoic acid
CID 54182717
(1S,2R,7R,8R)-4,10-dihydroxy-2,11-dimethyl-5,8-bis[(2R)-6-methylhept-5-en-2-yl]tricyclo[6.3.1.02,7]dodeca-4,10-diene-3,6,9,12-tetrone
CID 177404816
3-methoxy-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
CID 102204926
S-(6-methylhept-5-en-2-yl) ethanethioate
CID 10559479
4-[(2S)-6-methylhept-5-en-2-yl]benzaldehyde
CID 102063199
N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine
CID 115919782
benzoic acid;N,6-dimethylhept-5-en-2-amine
CID 138630133
methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene
CID 160825618
3,7-dimethyl-2-propyloct-6-enoic acid
CID 91153556

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide?
The IUPAC name of N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide (CID 54693661) is N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide is CC(C)=CCCC(C)C1=C(O)C(C)(C(=O)NC(C)(C)C)OC1=O.
What is the InChIKey of N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide?
The InChIKey is QREAEZAFMNDZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-11(2)9-8-10-12(3)13-14(20)18(7,23-15(13)21)16(22)19-17(4,5)6/h9,12,20H,8,10H2,1-7H3,(H,19,22).
What are the key properties of N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide?
N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide has a molecular weight of 323.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide is sourced from PubChem (CID 54693661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).