2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate

C34H62N4O4 — CID 139952468

IUPAC2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate
SMILESCCCCCCCCCCN(C)CCOC(=O)Nc1ccc(NC(=O)OCCN(C)CCCCCCCCCC)cc1
InChIInChI=1S/C34H62N4O4/c1-5-7-9-11-13-15-17-19-25-37(3)27-29-41-33(39)35-31-21-23-32(24-22-31)36-34(40)42-30-28-38(4)26-20-18-16-14-12-10-8-6-2/h21-24H,5-20,25-30H2,1-4H3,(H,35,39)(H,36,40)
InChIKeyNJFWKFMAPWMPIX-UHFFFAOYSA-N
MW590.89 g/mol
LogP8.93
Rot. Bonds26

About 2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate

2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate (PubChem CID 139952468) has the molecular formula C34H62N4O4 and a molecular weight of 590.89 g/mol. Its IUPAC name is 2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate.

Molecular Properties

Compound Name2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate
PubChem CID139952468
Molecular FormulaC34H62N4O4
Molecular Weight590.89 g/mol
Exact Mass590.48
IUPAC Name2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate
SMILESCCCCCCCCCCN(C)CCOC(=O)Nc1ccc(NC(=O)OCCN(C)CCCCCCCCCC)cc1
InChIInChI=1S/C34H62N4O4/c1-5-7-9-11-13-15-17-19-25-37(3)27-29-41-33(39)35-31-21-23-32(24-22-31)36-34(40)42-30-28-38(4)26-20-18-16-14-12-10-8-6-2/h21-24H,5-20,25-30H2,1-4H3,(H,35,39)(H,36,40)
InChIKeyNJFWKFMAPWMPIX-UHFFFAOYSA-N
XLogP8.93
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.89
LogP ≤ 58.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]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

2-[methyl(tetradecyl)amino]ethyl N-[4-[2-[methyl(tetradecyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952492
2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139956615
[methyl(tetradecyl)amino]methyl N-[4-[[methyl(tetradecyl)amino]methoxycarbonylamino]phenyl]carbamate
CID 139953453
[methyl(nonyl)amino]methyl N-[4-[[methyl(nonyl)amino]methoxycarbonylamino]phenyl]carbamate
CID 139953248
4-[methyl(octyl)amino]butyl N-[3-[4-[methyl(octyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953083
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
4-[dodecyl(ethyl)amino]butyl N-[4-[4-[dodecyl(ethyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953680
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
[ethyl(hexyl)amino]methyl N-[4-[[ethyl(hexyl)amino]methoxycarbonylamino]phenyl]carbamate
CID 139952883
[methyl(tetradecyl)amino]methyl N-[3-[[methyl(tetradecyl)amino]methoxycarbonylamino]phenyl]carbamate
CID 139952624
2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride
CID 24836482

Frequently Asked Questions

What is the IUPAC name of 2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate?
The IUPAC name of 2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate (CID 139952468) is 2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate.
What is the SMILES notation for 2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate?
The canonical SMILES for 2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate is CCCCCCCCCCN(C)CCOC(=O)Nc1ccc(NC(=O)OCCN(C)CCCCCCCCCC)cc1.
What is the InChIKey of 2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate?
The InChIKey is NJFWKFMAPWMPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62N4O4/c1-5-7-9-11-13-15-17-19-25-37(3)27-29-41-33(39)35-31-21-23-32(24-22-31)36-34(40)42-30-28-38(4)26-20-18-16-14-12-10-8-6-2/h21-24H,5-20,25-30H2,1-4H3,(H,35,39)(H,36,40).
What are the key properties of 2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate?
2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate has a molecular weight of 590.89 g/mol, XLogP of 8.93, 26 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate is sourced from PubChem (CID 139952468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).