1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea

C16H27N3O3 — CID 10470595

IUPAC1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea
SMILESCCCCCNC(=O)Nc1cccc(OCOC)c1N(C)C
InChIInChI=1S/C16H27N3O3/c1-5-6-7-11-17-16(20)18-13-9-8-10-14(22-12-21-4)15(13)19(2)3/h8-10H,5-7,11-12H2,1-4H3,(H2,17,18,20)
InChIKeyHETDUSYVHCIIML-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.05
Rot. Bonds9

About 1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea

1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea (PubChem CID 10470595) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea
PubChem CID10470595
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea
SMILESCCCCCNC(=O)Nc1cccc(OCOC)c1N(C)C
InChIInChI=1S/C16H27N3O3/c1-5-6-7-11-17-16(20)18-13-9-8-10-14(22-12-21-4)15(13)19(2)3/h8-10H,5-7,11-12H2,1-4H3,(H2,17,18,20)
InChIKeyHETDUSYVHCIIML-UHFFFAOYSA-N
XLogP3.05
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-methoxyethyl)urea
CID 47226452
2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
CID 60577078
1-(2-aminophenyl)-3-nonylurea
CID 177454724
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
CID 47202619
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
1-[2-[3-(benzotriazol-2-yl)propoxy]-6-(dimethylamino)phenyl]-3-pentylurea
CID 10093846
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
1-butyl-3-(2-methyl-3-pyridinyl)urea
CID 115667861
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
CID 110890857
1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677
2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
CID 63747383

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea?
The IUPAC name of 1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea (CID 10470595) is 1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea.
What is the SMILES notation for 1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea?
The canonical SMILES for 1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea is CCCCCNC(=O)Nc1cccc(OCOC)c1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea?
The InChIKey is HETDUSYVHCIIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-5-6-7-11-17-16(20)18-13-9-8-10-14(22-12-21-4)15(13)19(2)3/h8-10H,5-7,11-12H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea?
1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea has a molecular weight of 309.41 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-(methoxymethoxy)phenyl]-3-pentylurea is sourced from PubChem (CID 10470595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).