N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide

C18H24N2O3 — CID 129402077

IUPACN-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
SMILESO=C1CC(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1
InChIInChI=1S/C18H24N2O3/c21-16-9-15(10-16)18(22)19-11-17-13-20(7-4-8-23-17)12-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2,(H,19,22)/t17-/m0/s1
InChIKeyFFWYTSWCMAGMPF-KRWDZBQOSA-N
MW316.40 g/mol
LogP1.37
Rot. Bonds5

About N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide

N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide (PubChem CID 129402077) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
PubChem CID129402077
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
SMILESO=C1CC(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1
InChIInChI=1S/C18H24N2O3/c21-16-9-15(10-16)18(22)19-11-17-13-20(7-4-8-23-17)12-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2,(H,19,22)/t17-/m0/s1
InChIKeyFFWYTSWCMAGMPF-KRWDZBQOSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
CID 129479095
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(methylcarbamoylamino)acetamide
CID 124623954
(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51671316
3-amino-N-[(4-benzylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119829834
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 129402067
3-amino-N-[(4-benzylmorpholin-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119829833
N-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 131900860
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34747212

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide (CID 129402077) is N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide is O=C1CC(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1.
What is the InChIKey of N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide?
The InChIKey is FFWYTSWCMAGMPF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16-9-15(10-16)18(22)19-11-17-13-20(7-4-8-23-17)12-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2,(H,19,22)/t17-/m0/s1.
What are the key properties of N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide?
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 129402077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).