tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide

C16H26N2O4 — CID 144684417

IUPACtert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide
SMILESCCCOc1ccccc1NC=O.CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H13NO2.C6H13NO2/c1-2-7-13-10-6-4-3-5-9(10)11-8-12;1-6(2,3)9-5(8)7-4/h3-6,8H,2,7H2,1H3,(H,11,12);1-4H3,(H,7,8)
InChIKeyZRBODYYUZNVWIM-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.18
Rot. Bonds5

About tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide

tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide (PubChem CID 144684417) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide.

Molecular Properties

Compound Nametert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide
PubChem CID144684417
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nametert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide
SMILESCCCOc1ccccc1NC=O.CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H13NO2.C6H13NO2/c1-2-7-13-10-6-4-3-5-9(10)11-8-12;1-6(2,3)9-5(8)7-4/h3-6,8H,2,7H2,1H3,(H,11,12);1-4H3,(H,7,8)
InChIKeyZRBODYYUZNVWIM-UHFFFAOYSA-N
XLogP3.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-propoxyphenyl)carbamate
CID 19872099
N-[2-(2,2-dimethylpropoxy)phenyl]formamide
CID 143321861
tert-butyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 22620024
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
CID 81414196
N-(3,3-dimethylbutyl)-2-propoxyaniline
CID 63427056
methyl 3-formamido-4-propoxybenzoate
CID 135191960
ethyl (E)-2-cyano-3-(2-propoxyanilino)prop-2-enoate
CID 8812471
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
N-[2-(4-phenylbutoxy)phenyl]formamide
CID 150186708
tert-butyl N-[(2R)-1-(2-formamidophenyl)sulfanylpropan-2-yl]carbamate
CID 135192025

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide?
The IUPAC name of tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide (CID 144684417) is tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide.
What is the SMILES notation for tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide?
The canonical SMILES for tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide is CCCOc1ccccc1NC=O.CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide?
The InChIKey is ZRBODYYUZNVWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C6H13NO2/c1-2-7-13-10-6-4-3-5-9(10)11-8-12;1-6(2,3)9-5(8)7-4/h3-6,8H,2,7H2,1H3,(H,11,12);1-4H3,(H,7,8).
What are the key properties of tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide?
tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide has a molecular weight of 310.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methylcarbamate;N-(2-propoxyphenyl)formamide is sourced from PubChem (CID 144684417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).