tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate

C17H25NO4 — CID 165471508

IUPACtert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate
SMILESCOCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-17(2,3)22-16(20)18(11-10-15(19)13-21-4)12-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
InChIKeyKUTCEAQGKCOQQJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.03
Rot. Bonds7

About tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate

tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate (PubChem CID 165471508) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate
PubChem CID165471508
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nametert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate
SMILESCOCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO4/c1-17(2,3)22-16(20)18(11-10-15(19)13-21-4)12-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
InChIKeyKUTCEAQGKCOQQJ-UHFFFAOYSA-N
XLogP3.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate
CID 165465583
tert-butyl N-benzyl-N-(3-oxohept-5-ynyl)carbamate
CID 165465580
tert-butyl N-benzyl-N-(4-methyl-3-oxopent-4-enyl)carbamate
CID 165471507
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
tert-butyl N-benzyl-N-(6-methoxy-4-methyl-3-oxohexyl)carbamate
CID 165465585
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl N-benzyl-N-[(E)-5-methoxypent-3-enyl]carbamate
CID 131241133
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346
tert-butyl N-benzyl-N-(3,3-dimethyl-4-oxobutyl)carbamate
CID 146629993
tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate (CID 165471508) is tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate is COCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate?
The InChIKey is KUTCEAQGKCOQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-17(2,3)22-16(20)18(11-10-15(19)13-21-4)12-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3.
What are the key properties of tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate?
tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate has a molecular weight of 307.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate is sourced from PubChem (CID 165471508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).