2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one

C15H22N2O3 — CID 56739388

IUPAC2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one
SMILESCc1oc(C(C)C)cc1C(=O)N1CCC(=O)NCC1C
InChIInChI=1S/C15H22N2O3/c1-9(2)13-7-12(11(4)20-13)15(19)17-6-5-14(18)16-8-10(17)3/h7,9-10H,5-6,8H2,1-4H3,(H,16,18)
InChIKeyQSFCASJXDZFAIU-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.06
Rot. Bonds2

About 2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one

2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one (PubChem CID 56739388) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one
PubChem CID56739388
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one
SMILESCc1oc(C(C)C)cc1C(=O)N1CCC(=O)NCC1C
InChIInChI=1S/C15H22N2O3/c1-9(2)13-7-12(11(4)20-13)15(19)17-6-5-14(18)16-8-10(17)3/h7,9-10H,5-6,8H2,1-4H3,(H,16,18)
InChIKeyQSFCASJXDZFAIU-UHFFFAOYSA-N
XLogP2.06
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
(2S)-1-(2-chloro-5-pyrazol-1-ylbenzoyl)-2-methyl-1,4-diazepan-5-one
CID 95222617
N-[[(2R)-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 124883784
[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
CID 133122860
(2S)-1-(3-hydroxypyridine-2-carbonyl)-2-methyl-1,4-diazepan-5-one
CID 95190418
[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
CID 133121607
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207241
3-methyl-7-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56899532
(2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 97434325
(2-methyl-5-propan-2-ylfuran-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97133758
(2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97133757

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one (CID 56739388) is 2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one is Cc1oc(C(C)C)cc1C(=O)N1CCC(=O)NCC1C.
What is the InChIKey of 2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one?
The InChIKey is QSFCASJXDZFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)13-7-12(11(4)20-13)15(19)17-6-5-14(18)16-8-10(17)3/h7,9-10H,5-6,8H2,1-4H3,(H,16,18).
What are the key properties of 2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one?
2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one has a molecular weight of 278.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 56739388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).