benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate

C21H34N2O4 — CID 59544023

IUPACbenzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate
SMILESCON(C)C(=O)CCCCCCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C21H34N2O4/c1-23(26-2)20(24)16-12-7-5-3-4-6-8-13-17-22-21(25)27-18-19-14-10-9-11-15-19/h9-11,14-15H,3-8,12-13,16-18H2,1-2H3,(H,22,25)
InChIKeySJFVSLZGLWLWHS-UHFFFAOYSA-N
MW378.51 g/mol
LogP4.44
Rot. Bonds14

About benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate

benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate (PubChem CID 59544023) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate
PubChem CID59544023
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Namebenzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate
SMILESCON(C)C(=O)CCCCCCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C21H34N2O4/c1-23(26-2)20(24)16-12-7-5-3-4-6-8-13-17-22-21(25)27-18-19-14-10-9-11-15-19/h9-11,14-15H,3-8,12-13,16-18H2,1-2H3,(H,22,25)
InChIKeySJFVSLZGLWLWHS-UHFFFAOYSA-N
XLogP4.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]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

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-(6-oxoheptyl)carbamate
CID 58434506
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate
CID 172915842
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-(8-oxopentadecyl)carbamate
CID 123440218
3-oxo-8-(phenylmethoxycarbonylamino)octanoic acid
CID 22149896
sodium 6-(phenylmethoxycarbonylamino)hexanoate
CID 102088654
tert-butyl 5-(phenylmethoxycarbonylamino)pentanoate
CID 10638439
benzyl N-(8-bromooctyl)carbamate
CID 86200547
benzyl N-[12-(methylideneamino)-12-oxododecyl]carbamate
CID 130468290

Frequently Asked Questions

What is the IUPAC name of benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate?
The IUPAC name of benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate (CID 59544023) is benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate.
What is the SMILES notation for benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate?
The canonical SMILES for benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate is CON(C)C(=O)CCCCCCCCCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate?
The InChIKey is SJFVSLZGLWLWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-23(26-2)20(24)16-12-7-5-3-4-6-8-13-17-22-21(25)27-18-19-14-10-9-11-15-19/h9-11,14-15H,3-8,12-13,16-18H2,1-2H3,(H,22,25).
What are the key properties of benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate?
benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate has a molecular weight of 378.51 g/mol, XLogP of 4.44, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[11-[methoxy(methyl)amino]-11-oxoundecyl]carbamate is sourced from PubChem (CID 59544023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).