tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate

C19H29NO4 — CID 165465583

IUPACtert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate
SMILESCCCOCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H29NO4/c1-5-13-23-15-17(21)11-12-20(18(22)24-19(2,3)4)14-16-9-7-6-8-10-16/h6-10H,5,11-15H2,1-4H3
InChIKeyFKFWIXNAKWYLMH-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.81
Rot. Bonds9

About tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate

tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate (PubChem CID 165465583) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate
PubChem CID165465583
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nametert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate
SMILESCCCOCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H29NO4/c1-5-13-23-15-17(21)11-12-20(18(22)24-19(2,3)4)14-16-9-7-6-8-10-16/h6-10H,5,11-15H2,1-4H3
InChIKeyFKFWIXNAKWYLMH-UHFFFAOYSA-N
XLogP3.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate
CID 165471508
tert-butyl N-benzyl-N-(3-oxohept-5-ynyl)carbamate
CID 165465580
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
tert-butyl 3-[2-[2-[2-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 172946115
tert-butyl N-benzyl-N-(4-methyl-3-oxopent-4-enyl)carbamate
CID 165471507
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl N-benzyl-N-(6-methoxy-4-methyl-3-oxohexyl)carbamate
CID 165465585
3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl methanesulfonate
CID 59393893
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346
tert-butyl N-benzyl-N-(3,3-dimethyl-4-oxobutyl)carbamate
CID 146629993

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate (CID 165465583) is tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate is CCCOCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate?
The InChIKey is FKFWIXNAKWYLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-5-13-23-15-17(21)11-12-20(18(22)24-19(2,3)4)14-16-9-7-6-8-10-16/h6-10H,5,11-15H2,1-4H3.
What are the key properties of tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate?
tert-butyl N-benzyl-N-(3-oxo-4-propoxybutyl)carbamate has a molecular weight of 335.44 g/mol, XLogP of 3.81, 9 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-(3-oxo-4-propoxybutyl)carbamate is sourced from PubChem (CID 165465583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).