[3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate

C16H25N3O3 — CID 134123208

IUPAC[3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1cccc(NC(=O)N(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-4-5-6-7-11-17-16(21)22-14-10-8-9-13(12-14)18-15(20)19(2)3/h8-10,12H,4-7,11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyINXHWKMCJSXHEI-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.45
Rot. Bonds7

About [3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate

[3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate (PubChem CID 134123208) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is [3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate.

Molecular Properties

Compound Name[3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate
PubChem CID134123208
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name[3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate
SMILESCCCCCCNC(=O)Oc1cccc(NC(=O)N(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-4-5-6-7-11-17-16(21)22-14-10-8-9-13(12-14)18-15(20)19(2)3/h8-10,12H,4-7,11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyINXHWKMCJSXHEI-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(methoxycarbonylamino)phenyl] N-butylcarbamate
CID 26183
[3-(3-oxobutanoylamino)phenyl] N-butylcarbamate
CID 21422770
3-(3-chloro-4-methylphenyl)-1,1-dimethylurea;[3-(dimethylcarbamoylamino)phenyl] N-tert-butylcarbamate
CID 160620373
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
[3-(dibutylcarbamoylamino)phenyl] acetate
CID 108865229
[4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate
CID 146404459
1-(3-methoxyphenyl)-3-nonylthiourea
CID 19651092
[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate
CID 46231703
[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate
CID 46231642
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999
(4-acetyl-3-hydroxyphenyl) N-octylcarbamate
CID 22971769
[3-(butoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105211

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate?
The IUPAC name of [3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate (CID 134123208) is [3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate.
What is the SMILES notation for [3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate?
The canonical SMILES for [3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate is CCCCCCNC(=O)Oc1cccc(NC(=O)N(C)C)c1.
What is the InChIKey of [3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate?
The InChIKey is INXHWKMCJSXHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-5-6-7-11-17-16(21)22-14-10-8-9-13(12-14)18-15(20)19(2)3/h8-10,12H,4-7,11H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of [3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate?
[3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate has a molecular weight of 307.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylcarbamoylamino)phenyl] N-hexylcarbamate is sourced from PubChem (CID 134123208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).