1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C18H19N3O2 — CID 47023890

IUPAC1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NNC(=O)c1ccccc1)NC1CCCc2ccccc21
InChIInChI=1S/C18H19N3O2/c22-17(14-8-2-1-3-9-14)20-21-18(23)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-5,7-9,11,16H,6,10,12H2,(H,20,22)(H2,19,21,23)
InChIKeyVDKNCJHGAPTJFD-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.71
Rot. Bonds2

About 1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 47023890) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID47023890
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NNC(=O)c1ccccc1)NC1CCCc2ccccc21
InChIInChI=1S/C18H19N3O2/c22-17(14-8-2-1-3-9-14)20-21-18(23)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-5,7-9,11,16H,6,10,12H2,(H,20,22)(H2,19,21,23)
InChIKeyVDKNCJHGAPTJFD-UHFFFAOYSA-N
XLogP2.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 32745629
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124670671
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7688434
1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81155808

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 47023890) is 1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is O=C(NNC(=O)c1ccccc1)NC1CCCc2ccccc21.
What is the InChIKey of 1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is VDKNCJHGAPTJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17(14-8-2-1-3-9-14)20-21-18(23)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-5,7-9,11,16H,6,10,12H2,(H,20,22)(H2,19,21,23).
What are the key properties of 1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 309.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 47023890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).