1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea

C14H17N3O2 — CID 70274978

IUPAC1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea
SMILESCOc1ccc2cccc(N(C(N)=O)N(C)C)c2c1
InChIInChI=1S/C14H17N3O2/c1-16(2)17(14(15)18)13-6-4-5-10-7-8-11(19-3)9-12(10)13/h4-9H,1-3H3,(H2,15,18)
InChIKeyHFBVXIFISKZYFE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.21
Rot. Bonds3

About 1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea

1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea (PubChem CID 70274978) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea
PubChem CID70274978
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea
SMILESCOc1ccc2cccc(N(C(N)=O)N(C)C)c2c1
InChIInChI=1S/C14H17N3O2/c1-16(2)17(14(15)18)13-6-4-5-10-7-8-11(19-3)9-12(10)13/h4-9H,1-3H3,(H2,15,18)
InChIKeyHFBVXIFISKZYFE-UHFFFAOYSA-N
XLogP2.21
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(dimethylamino)-1-(2-methoxyphenyl)urea
CID 67588036
ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide
CID 144612318
2-(7-methoxynaphthalen-1-yl)butanamide
CID 57299738
3-(7-methoxynaphthalen-1-yl)butanamide
CID 57236760
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 68534392
2-(7-methoxynaphthalen-1-yl)hexanamide
CID 57317749
ethenoxymethanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide
CID 177154324
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 19780510
3-(7-methoxynaphthalen-1-yl)heptanamide
CID 57192600

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea?
The IUPAC name of 1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea (CID 70274978) is 1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea?
The canonical SMILES for 1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea is COc1ccc2cccc(N(C(N)=O)N(C)C)c2c1.
What is the InChIKey of 1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea?
The InChIKey is HFBVXIFISKZYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16(2)17(14(15)18)13-6-4-5-10-7-8-11(19-3)9-12(10)13/h4-9H,1-3H3,(H2,15,18).
What are the key properties of 1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea?
1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea has a molecular weight of 259.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea is sourced from PubChem (CID 70274978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).