2-(methoxycarbonylamino)butyl N-phenylcarbamate

C13H18N2O4 — CID 3136023

IUPAC2-(methoxycarbonylamino)butyl N-phenylcarbamate
SMILESCCC(COC(=O)Nc1ccccc1)NC(=O)OC
InChIInChI=1S/C13H18N2O4/c1-3-10(14-12(16)18-2)9-19-13(17)15-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWMKLBKOQZXZJPS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.37
Rot. Bonds5

About 2-(methoxycarbonylamino)butyl N-phenylcarbamate

2-(methoxycarbonylamino)butyl N-phenylcarbamate (PubChem CID 3136023) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)butyl N-phenylcarbamate.

Molecular Properties

Compound Name2-(methoxycarbonylamino)butyl N-phenylcarbamate
PubChem CID3136023
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(methoxycarbonylamino)butyl N-phenylcarbamate
SMILESCCC(COC(=O)Nc1ccccc1)NC(=O)OC
InChIInChI=1S/C13H18N2O4/c1-3-10(14-12(16)18-2)9-19-13(17)15-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWMKLBKOQZXZJPS-UHFFFAOYSA-N
XLogP2.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(phenylcarbamoylamino)butyl N-phenylcarbamate
CID 123547961
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
[(2R)-2-(phenylmethoxycarbonylamino)butyl] acetate
CID 10333076
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide
CID 104897960
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
CID 68594224
CID 68594224
[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride
CID 138401907
3-methylbutyl N-phenylcarbamate
CID 69480810
3-methylbut-2-enyl N-phenylcarbamate
CID 824835
2-ethoxyethyl N-phenylcarbamate
CID 4101389

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)butyl N-phenylcarbamate?
The IUPAC name of 2-(methoxycarbonylamino)butyl N-phenylcarbamate (CID 3136023) is 2-(methoxycarbonylamino)butyl N-phenylcarbamate.
What is the SMILES notation for 2-(methoxycarbonylamino)butyl N-phenylcarbamate?
The canonical SMILES for 2-(methoxycarbonylamino)butyl N-phenylcarbamate is CCC(COC(=O)Nc1ccccc1)NC(=O)OC.
What is the InChIKey of 2-(methoxycarbonylamino)butyl N-phenylcarbamate?
The InChIKey is WMKLBKOQZXZJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-10(14-12(16)18-2)9-19-13(17)15-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-(methoxycarbonylamino)butyl N-phenylcarbamate?
2-(methoxycarbonylamino)butyl N-phenylcarbamate has a molecular weight of 266.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)butyl N-phenylcarbamate is sourced from PubChem (CID 3136023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).