4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide

C15H23N3O3 — CID 95134239

IUPAC4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide
SMILESCC(=O)N1CCCN(C(=O)N[C@H](C)c2ccc(C)o2)CC1
InChIInChI=1S/C15H23N3O3/c1-11-5-6-14(21-11)12(2)16-15(20)18-8-4-7-17(9-10-18)13(3)19/h5-6,12H,4,7-10H2,1-3H3,(H,16,20)/t12-/m1/s1
InChIKeyTZAKQIYDPFQOHS-GFCCVEGCSA-N
MW293.37 g/mol
LogP1.91
Rot. Bonds2

About 4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide

4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide (PubChem CID 95134239) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide
PubChem CID95134239
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide
SMILESCC(=O)N1CCCN(C(=O)N[C@H](C)c2ccc(C)o2)CC1
InChIInChI=1S/C15H23N3O3/c1-11-5-6-14(21-11)12(2)16-15(20)18-8-4-7-17(9-10-18)13(3)19/h5-6,12H,4,7-10H2,1-3H3,(H,16,20)/t12-/m1/s1
InChIKeyTZAKQIYDPFQOHS-GFCCVEGCSA-N
XLogP1.91
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583196
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583197
1-[4-[1-(5-methylfuran-2-yl)ethylamino]piperidin-1-yl]ethanone
CID 43224710
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide
CID 87000118
N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 87000126
2-[1-(5-methylfuran-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60673238
3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 107071464
(1R,3R)-3-ethoxy-1-hydroxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 129430027
(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 103928680
4-acetyl-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 124626621
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
2-[1-(aminomethyl)cyclobutyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 81178711

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide (CID 95134239) is 4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide is CC(=O)N1CCCN(C(=O)N[C@H](C)c2ccc(C)o2)CC1.
What is the InChIKey of 4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide?
The InChIKey is TZAKQIYDPFQOHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-5-6-14(21-11)12(2)16-15(20)18-8-4-7-17(9-10-18)13(3)19/h5-6,12H,4,7-10H2,1-3H3,(H,16,20)/t12-/m1/s1.
What are the key properties of 4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide?
4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 95134239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).