methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate

C14H19N3O3 — CID 116675796

IUPACmethyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)C(C)C2CNC2)cc1
InChIInChI=1S/C14H19N3O3/c1-9(10-7-15-8-10)13(18)16-11-3-5-12(6-4-11)17-14(19)20-2/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDDRHJAKNJMGUPH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.66
Rot. Bonds4

About methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate

methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate (PubChem CID 116675796) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
PubChem CID116675796
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)C(C)C2CNC2)cc1
InChIInChI=1S/C14H19N3O3/c1-9(10-7-15-8-10)13(18)16-11-3-5-12(6-4-11)17-14(19)20-2/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDDRHJAKNJMGUPH-UHFFFAOYSA-N
XLogP1.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
CID 116675843
2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide
CID 116675582
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
CID 116675538
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 116675266
2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
CID 116675283
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 116675714
5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875
N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide
CID 116675530
2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 116677263

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate (CID 116675796) is methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)C(C)C2CNC2)cc1.
What is the InChIKey of methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate?
The InChIKey is DDRHJAKNJMGUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(10-7-15-8-10)13(18)16-11-3-5-12(6-4-11)17-14(19)20-2/h3-6,9-10,15H,7-8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate?
methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate has a molecular weight of 277.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate is sourced from PubChem (CID 116675796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).