2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate

C17H26N2O6 — CID 108570771

IUPAC2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
SMILESCOc1cc(C(=O)NCCNC(=O)OCC(C)C)cc(OC)c1OC
InChIInChI=1S/C17H26N2O6/c1-11(2)10-25-17(21)19-7-6-18-16(20)12-8-13(22-3)15(24-5)14(9-12)23-4/h8-9,11H,6-7,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyQQSQYYKJRAMFPY-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.82
Rot. Bonds9

About 2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate

2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate (PubChem CID 108570771) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
PubChem CID108570771
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
SMILESCOc1cc(C(=O)NCCNC(=O)OCC(C)C)cc(OC)c1OC
InChIInChI=1S/C17H26N2O6/c1-11(2)10-25-17(21)19-7-6-18-16(20)12-8-13(22-3)15(24-5)14(9-12)23-4/h8-9,11H,6-7,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyQQSQYYKJRAMFPY-UHFFFAOYSA-N
XLogP1.82
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-(4-bromopentyl)-3,4,5-trimethoxybenzamide
CID 106131338
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
N-(3-hydroxypentyl)-3,4,5-trimethoxybenzamide
CID 115703422
N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108570778
propan-2-yl 4-[(3,4,5-trimethoxybenzoyl)amino]butanoate
CID 3092235
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate (CID 108570771) is 2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate is COc1cc(C(=O)NCCNC(=O)OCC(C)C)cc(OC)c1OC.
What is the InChIKey of 2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate?
The InChIKey is QQSQYYKJRAMFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-11(2)10-25-17(21)19-7-6-18-16(20)12-8-13(22-3)15(24-5)14(9-12)23-4/h8-9,11H,6-7,10H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of 2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate?
2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate has a molecular weight of 354.40 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 108570771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).