hexadecyl N-(4-methoxyphenyl)carbamate

C24H41NO3 — CID 46229876

IUPAChexadecyl N-(4-methoxyphenyl)carbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C24H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-24(26)25-22-17-19-23(27-2)20-18-22/h17-20H,3-16,21H2,1-2H3,(H,25,26)
InChIKeyKEAPPBXJZAYCAF-UHFFFAOYSA-N
MW391.60 g/mol
LogP7.72
Rot. Bonds17

About hexadecyl N-(4-methoxyphenyl)carbamate

hexadecyl N-(4-methoxyphenyl)carbamate (PubChem CID 46229876) has the molecular formula C24H41NO3 and a molecular weight of 391.60 g/mol. Its IUPAC name is hexadecyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Namehexadecyl N-(4-methoxyphenyl)carbamate
PubChem CID46229876
Molecular FormulaC24H41NO3
Molecular Weight391.60 g/mol
Exact Mass391.31
IUPAC Namehexadecyl N-(4-methoxyphenyl)carbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C24H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-24(26)25-22-17-19-23(27-2)20-18-22/h17-20H,3-16,21H2,1-2H3,(H,25,26)
InChIKeyKEAPPBXJZAYCAF-UHFFFAOYSA-N
XLogP7.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
dodecyl N-phenylcarbamate
CID 521818
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 54463320
hexyl N-[4-(2-methylbut-3-en-2-yloxy)phenyl]carbamate
CID 139639174
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
4-[dodecyl(ethyl)amino]butyl N-[4-[4-[dodecyl(ethyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953680
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101

Frequently Asked Questions

What is the IUPAC name of hexadecyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of hexadecyl N-(4-methoxyphenyl)carbamate (CID 46229876) is hexadecyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for hexadecyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for hexadecyl N-(4-methoxyphenyl)carbamate is CCCCCCCCCCCCCCCCOC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of hexadecyl N-(4-methoxyphenyl)carbamate?
The InChIKey is KEAPPBXJZAYCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-24(26)25-22-17-19-23(27-2)20-18-22/h17-20H,3-16,21H2,1-2H3,(H,25,26).
What are the key properties of hexadecyl N-(4-methoxyphenyl)carbamate?
hexadecyl N-(4-methoxyphenyl)carbamate has a molecular weight of 391.60 g/mol, XLogP of 7.72, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 46229876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).