N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide

C28H33N3O4 — CID 66744711

IUPACN-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC1CN(C2(C3=C(Cc4ccccc4)OCO3)CCCCC2)C1
InChIInChI=1S/C28H33N3O4/c32-25(17-29-27(33)22-12-6-2-7-13-22)30-23-18-31(19-23)28(14-8-3-9-15-28)26-24(34-20-35-26)16-21-10-4-1-5-11-21/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,29,33)(H,30,32)
InChIKeyAZZQINLAWBEGQU-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.38
Rot. Bonds8

About N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide

N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 66744711) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID66744711
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC NameN-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC1CN(C2(C3=C(Cc4ccccc4)OCO3)CCCCC2)C1
InChIInChI=1S/C28H33N3O4/c32-25(17-29-27(33)22-12-6-2-7-13-22)30-23-18-31(19-23)28(14-8-3-9-15-28)26-24(34-20-35-26)16-21-10-4-1-5-11-21/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,29,33)(H,30,32)
InChIKeyAZZQINLAWBEGQU-UHFFFAOYSA-N
XLogP3.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethoxy)-1,2-benzoxazol-3-yl]amino]acetamide
CID 67479089
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 3236722
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
N-[2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]amino]-2-oxoethyl]benzamide
CID 110158776
N-[2-[[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]amino]-2-oxoethyl]benzamide
CID 154822716
N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41045423
N-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17418131
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
CID 111539734
N-[2-oxo-2-[[1-(pyridine-2-carbonyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550474
N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide (CID 66744711) is N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NC1CN(C2(C3=C(Cc4ccccc4)OCO3)CCCCC2)C1.
What is the InChIKey of N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is AZZQINLAWBEGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c32-25(17-29-27(33)22-12-6-2-7-13-22)30-23-18-31(19-23)28(14-8-3-9-15-28)26-24(34-20-35-26)16-21-10-4-1-5-11-21/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,29,33)(H,30,32).
What are the key properties of N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 475.59 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[1-(5-benzyl-1,3-dioxol-4-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 66744711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).