2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide

C17H27N3O2 — CID 60577078

IUPAC2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
SMILESCCCCCCNC(=O)Nc1ccccc1CC(=O)N(C)C
InChIInChI=1S/C17H27N3O2/c1-4-5-6-9-12-18-17(22)19-15-11-8-7-10-14(15)13-16(21)20(2)3/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H2,18,19,22)
InChIKeyZTPFBRUXAXVYQD-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.02
Rot. Bonds8

About 2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide

2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide (PubChem CID 60577078) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
PubChem CID60577078
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
SMILESCCCCCCNC(=O)Nc1ccccc1CC(=O)N(C)C
InChIInChI=1S/C17H27N3O2/c1-4-5-6-9-12-18-17(22)19-15-11-8-7-10-14(15)13-16(21)20(2)3/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H2,18,19,22)
InChIKeyZTPFBRUXAXVYQD-UHFFFAOYSA-N
XLogP3.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
CID 60576974
1-(2-aminophenyl)-3-nonylurea
CID 177454724
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031
1-dodecyl-3-phenylurea
CID 3697946
N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
1-(2-methylsulfonylphenyl)-3-pentylurea
CID 47033227
2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 118789686
1-(2-ethylphenyl)-3-nonylthiourea
CID 19651096
[2-(butylcarbamoylamino)phenyl]methyl acetate
CID 174857263
N,N-dimethyl-2-[2-[[2-oxo-2-(propylamino)ethyl]amino]phenyl]acetamide
CID 47409577

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide (CID 60577078) is 2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide is CCCCCCNC(=O)Nc1ccccc1CC(=O)N(C)C.
What is the InChIKey of 2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide?
The InChIKey is ZTPFBRUXAXVYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-5-6-9-12-18-17(22)19-15-11-8-7-10-14(15)13-16(21)20(2)3/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H2,18,19,22).
What are the key properties of 2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide?
2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide has a molecular weight of 305.42 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 60577078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).