tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate

C16H25N3O4 — CID 143527416

IUPACtert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate
SMILESCOc1ccc(NC=O)c(N(C)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25N3O4/c1-16(2,3)23-15(21)17-8-9-19(4)14-10-12(22-5)6-7-13(14)18-11-20/h6-7,10-11H,8-9H2,1-5H3,(H,17,21)(H,18,20)
InChIKeySXEGZYZWXFSGLK-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.22
Rot. Bonds7

About tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate

tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate (PubChem CID 143527416) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate
PubChem CID143527416
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nametert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate
SMILESCOc1ccc(NC=O)c(N(C)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25N3O4/c1-16(2,3)23-15(21)17-8-9-19(4)14-10-12(22-5)6-7-13(14)18-11-20/h6-7,10-11H,8-9H2,1-5H3,(H,17,21)(H,18,20)
InChIKeySXEGZYZWXFSGLK-UHFFFAOYSA-N
XLogP2.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate
CID 75526718
tert-butyl N-[2-(2-bromo-5-methoxyanilino)ethyl]carbamate
CID 115877169
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346
tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576936
tert-butyl N-[4-(5-methoxy-2-methylphenyl)but-3-enyl]carbamate
CID 170490363
tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate
CID 103641097
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-[2-(2,5-diamino-4-methanimidoyl-N-methylanilino)ethyl]carbamate
CID 144847747
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
CID 107239683
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl N-[2-[bis[2-[(3-methoxyphenyl)methylideneamino]ethyl]amino]ethyl]carbamate
CID 11799009

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate (CID 143527416) is tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate is COc1ccc(NC=O)c(N(C)CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate?
The InChIKey is SXEGZYZWXFSGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-16(2,3)23-15(21)17-8-9-19(4)14-10-12(22-5)6-7-13(14)18-11-20/h6-7,10-11H,8-9H2,1-5H3,(H,17,21)(H,18,20).
What are the key properties of tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate?
tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate has a molecular weight of 323.39 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-formamido-5-methoxy-N-methylanilino)ethyl]carbamate is sourced from PubChem (CID 143527416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).