dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate

C32H56N2O4 — CID 102360236

IUPACdodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
SMILESCCCCCCCCCCCCOC(=O)Nc1ccc(NC(=O)OCCCCCCCCCCCC)cc1
InChIInChI=1S/C32H56N2O4/c1-3-5-7-9-11-13-15-17-19-21-27-37-31(35)33-29-23-25-30(26-24-29)34-32(36)38-28-22-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22,27-28H2,1-2H3,(H,33,35)(H,34,36)
InChIKeySRGHLHRFOPHVGQ-UHFFFAOYSA-N
MW532.81 g/mol
LogP10.63
Rot. Bonds24

About dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate

dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate (PubChem CID 102360236) has the molecular formula C32H56N2O4 and a molecular weight of 532.81 g/mol. Its IUPAC name is dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate.

Molecular Properties

Compound Namedodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
PubChem CID102360236
Molecular FormulaC32H56N2O4
Molecular Weight532.81 g/mol
Exact Mass532.42
IUPAC Namedodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
SMILESCCCCCCCCCCCCOC(=O)Nc1ccc(NC(=O)OCCCCCCCCCCCC)cc1
InChIInChI=1S/C32H56N2O4/c1-3-5-7-9-11-13-15-17-19-21-27-37-31(35)33-29-23-25-30(26-24-29)34-32(36)38-28-22-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22,27-28H2,1-2H3,(H,33,35)(H,34,36)
InChIKeySRGHLHRFOPHVGQ-UHFFFAOYSA-N
XLogP10.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.81
LogP ≤ 510.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
dodecyl N-phenylcarbamate
CID 521818
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 54463320
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
4-[dodecyl(ethyl)amino]butyl N-[4-[4-[dodecyl(ethyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953680
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
5-iodopentyl N-[4-[[4-(hexoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 163725060
undecyl N-(4-phenyldiazenylphenyl)carbamate
CID 523158
2-[methyl(tetradecyl)amino]ethyl N-[4-[2-[methyl(tetradecyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952492
2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952468

Frequently Asked Questions

What is the IUPAC name of dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate?
The IUPAC name of dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate (CID 102360236) is dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate.
What is the SMILES notation for dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate?
The canonical SMILES for dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate is CCCCCCCCCCCCOC(=O)Nc1ccc(NC(=O)OCCCCCCCCCCCC)cc1.
What is the InChIKey of dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate?
The InChIKey is SRGHLHRFOPHVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2O4/c1-3-5-7-9-11-13-15-17-19-21-27-37-31(35)33-29-23-25-30(26-24-29)34-32(36)38-28-22-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22,27-28H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate?
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate has a molecular weight of 532.81 g/mol, XLogP of 10.63, 24 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate is sourced from PubChem (CID 102360236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).