tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate

C16H26N2O4 — CID 103641097

IUPACtert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate
SMILESCOc1ccc(CNCCNC(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C16H26N2O4/c1-16(2,3)22-15(19)18-9-8-17-11-12-6-7-13(20-4)10-14(12)21-5/h6-7,10,17H,8-9,11H2,1-5H3,(H,18,19)
InChIKeyCTXAXYJUMQFGCJ-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.32
Rot. Bonds7

About tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate

tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate (PubChem CID 103641097) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate
PubChem CID103641097
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nametert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate
SMILESCOc1ccc(CNCCNC(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C16H26N2O4/c1-16(2,3)22-15(19)18-9-8-17-11-12-6-7-13(20-4)10-14(12)21-5/h6-7,10,17H,8-9,11H2,1-5H3,(H,18,19)
InChIKeyCTXAXYJUMQFGCJ-UHFFFAOYSA-N
XLogP2.32
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996
tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 130363598
tert-butyl N-[2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]ethyl]carbamate
CID 103740129
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295831
tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
CID 68795475
tert-butyl N-[2-[(2,4-dihydroxyphenyl)methylamino]ethyl]carbamate
CID 103740181
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61059017
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
tert-butyl N-[1-[(2-hydroxy-4-methoxyphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740311

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate (CID 103641097) is tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate is COc1ccc(CNCCNC(=O)OC(C)(C)C)c(OC)c1.
What is the InChIKey of tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate?
The InChIKey is CTXAXYJUMQFGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-16(2,3)22-15(19)18-9-8-17-11-12-6-7-13(20-4)10-14(12)21-5/h6-7,10,17H,8-9,11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate?
tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate has a molecular weight of 310.39 g/mol, XLogP of 2.32, 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-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate is sourced from PubChem (CID 103641097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).