tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate

C19H27N3O3 — CID 153395185

IUPACtert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1CC(NC(=O)Cc2ccc(C3CC3)cc2)C1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)21-22-11-16(12-22)20-17(23)10-13-4-6-14(7-5-13)15-8-9-15/h4-7,15-16H,8-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyACOQCPWZEZMARA-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.35
Rot. Bonds5

About tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate

tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate (PubChem CID 153395185) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate
PubChem CID153395185
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1CC(NC(=O)Cc2ccc(C3CC3)cc2)C1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)21-22-11-16(12-22)20-17(23)10-13-4-6-14(7-5-13)15-8-9-15/h4-7,15-16H,8-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyACOQCPWZEZMARA-UHFFFAOYSA-N
XLogP2.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
CID 161289804
tert-butyl 3-[(4-cyclopropylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 103524796
tert-butyl 4-[4-(2-oxopropyl)phenyl]piperidine-1-carboxylate
CID 89449291
2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide
CID 153395167
(2S)-3-(4-cyclopropylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 172894241
tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate
CID 172648323
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265
tert-butyl N-[4-[2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-2-oxoethyl]phenyl]carbamate
CID 46558468
tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate
CID 55868751
tert-butyl 4-[2-(4-cyclopropylphenyl)ethyl]piperidine-1-carboxylate
CID 134385902
tert-butyl N-[4-(4-carbamoyloxyphenyl)cyclohexyl]carbamate
CID 174567449
tert-butyl N-[2-[4-[[2-(4-bromophenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916782

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate (CID 153395185) is tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate is CC(C)(C)OC(=O)NN1CC(NC(=O)Cc2ccc(C3CC3)cc2)C1.
What is the InChIKey of tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate?
The InChIKey is ACOQCPWZEZMARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)21-22-11-16(12-22)20-17(23)10-13-4-6-14(7-5-13)15-8-9-15/h4-7,15-16H,8-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate?
tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate has a molecular weight of 345.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate is sourced from PubChem (CID 153395185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).