octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate

C22H37N3O3 — CID 24836459

IUPACoctyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
SMILESCCCCCCCCOC(=O)Nc1ccc(C(=O)NCCN(CC)CC)cc1
InChIInChI=1S/C22H37N3O3/c1-4-7-8-9-10-11-18-28-22(27)24-20-14-12-19(13-15-20)21(26)23-16-17-25(5-2)6-3/h12-15H,4-11,16-18H2,1-3H3,(H,23,26)(H,24,27)
InChIKeySUVSIBNDIMZSHJ-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.67
Rot. Bonds14

About octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate

octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate (PubChem CID 24836459) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameoctyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
PubChem CID24836459
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Nameoctyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
SMILESCCCCCCCCOC(=O)Nc1ccc(C(=O)NCCN(CC)CC)cc1
InChIInChI=1S/C22H37N3O3/c1-4-7-8-9-10-11-18-28-22(27)24-20-14-12-19(13-15-20)21(26)23-16-17-25(5-2)6-3/h12-15H,4-11,16-18H2,1-3H3,(H,23,26)(H,24,27)
InChIKeySUVSIBNDIMZSHJ-UHFFFAOYSA-N
XLogP4.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.67
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

4-[dodecyl(ethyl)amino]butyl N-[4-[4-[dodecyl(ethyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953680
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-heptylbenzamide
CID 143018159
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride
CID 24836482
N-[[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamothioyl]-2-hexoxybenzamide
CID 17230048
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamothioyl]-2-pentoxybenzamide
CID 17230051
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17229819

Frequently Asked Questions

What is the IUPAC name of octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate?
The IUPAC name of octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate (CID 24836459) is octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate?
The canonical SMILES for octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate is CCCCCCCCOC(=O)Nc1ccc(C(=O)NCCN(CC)CC)cc1.
What is the InChIKey of octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate?
The InChIKey is SUVSIBNDIMZSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-4-7-8-9-10-11-18-28-22(27)24-20-14-12-19(13-15-20)21(26)23-16-17-25(5-2)6-3/h12-15H,4-11,16-18H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate?
octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate has a molecular weight of 391.56 g/mol, XLogP of 4.67, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 24836459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).