benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate

C22H28N2O3 — CID 159674072

IUPACbenzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate
SMILESCC(C)C1(C(C)C)CCc2ccc(NC(=O)OCc3ccccc3)c(=O)n21
InChIInChI=1S/C22H28N2O3/c1-15(2)22(16(3)4)13-12-18-10-11-19(20(25)24(18)22)23-21(26)27-14-17-8-6-5-7-9-17/h5-11,15-16H,12-14H2,1-4H3,(H,23,26)
InChIKeyBTTSNVZBQUHSML-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.55
Rot. Bonds5

About benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate

benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate (PubChem CID 159674072) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate
PubChem CID159674072
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Namebenzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate
SMILESCC(C)C1(C(C)C)CCc2ccc(NC(=O)OCc3ccccc3)c(=O)n21
InChIInChI=1S/C22H28N2O3/c1-15(2)22(16(3)4)13-12-18-10-11-19(20(25)24(18)22)23-21(26)27-14-17-8-6-5-7-9-17/h5-11,15-16H,12-14H2,1-4H3,(H,23,26)
InChIKeyBTTSNVZBQUHSML-UHFFFAOYSA-N
XLogP4.55
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66854688
2-[6-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66853303
2-[2-oxo-6-(2-phenylethyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]propanoic acid
CID 66853852
2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 18172501
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548
benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 139631472
benzyl N-(1-acetyl-8-methoxy-4-oxo-2,3-dihydroquinolin-5-yl)carbamate
CID 15045574
benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 91450815
methyl 2-[2-oxo-6-(2-phenylethenyl)-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 174378849
2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 139948436

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate?
The IUPAC name of benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate (CID 159674072) is benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate.
What is the SMILES notation for benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate?
The canonical SMILES for benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate is CC(C)C1(C(C)C)CCc2ccc(NC(=O)OCc3ccccc3)c(=O)n21.
What is the InChIKey of benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate?
The InChIKey is BTTSNVZBQUHSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)22(16(3)4)13-12-18-10-11-19(20(25)24(18)22)23-21(26)27-14-17-8-6-5-7-9-17/h5-11,15-16H,12-14H2,1-4H3,(H,23,26).
What are the key properties of benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate?
benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate has a molecular weight of 368.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-oxo-3,3-di(propan-2-yl)-1,2-dihydroindolizin-6-yl]carbamate is sourced from PubChem (CID 159674072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).