1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea

C19H17N3O2 — CID 24819051

IUPAC1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea
SMILESCc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17N3O2/c1-13-6-2-5-9-17(13)20-19(24)22-21-18(23)16-11-10-14-7-3-4-8-15(14)12-16/h2-12H,1H3,(H,21,23)(H2,20,22,24)
InChIKeyYKGHSQPGJOFYJA-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.61
Rot. Bonds2

About 1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea

1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea (PubChem CID 24819051) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea
PubChem CID24819051
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea
SMILESCc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17N3O2/c1-13-6-2-5-9-17(13)20-19(24)22-21-18(23)16-11-10-14-7-3-4-8-15(14)12-16/h2-12H,1H3,(H,21,23)(H2,20,22,24)
InChIKeyYKGHSQPGJOFYJA-UHFFFAOYSA-N
XLogP3.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.61
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

N-(2-carbamoylphenyl)naphthalene-2-carboxamide
CID 787689
2-[(4-Tert-Butyl-3-Nitrophenyl)carbonyl]-N-Naphthalen-1-Ylhydrazinecarboxamide
CID 44224009
1-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-naphthalen-1-ylurea
CID 915861
N-(4-chlorophenyl)-2-[2-(1-naphthyl)acetyl]-1-hydrazinecarboxamide
CID 2731999
N-{[(2,5-dimethylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24818638
N-(3-chlorophenyl)-2-(1-naphthylacetyl)hydrazinecarboxamide
CID 1028288
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
2-benzoyl-2-tert-butyl-N-(2,6-dimethylphenyl)hydrazinecarboxamide
CID 848608
3-[(Naphthalene-1-carbonyl)-hydrazono]-N-(5,6,7,8-tetrahydro-naphthalen-1-yl)-butyramide
CID 9592081
6-(3-Acetylphenyl)-3-anilino-isocarbostyril
CID 16727383
N-(4-acetamidophenyl)naphthalene-1-carboxamide
CID 306852
N-[4-(propionylamino)phenyl]-2-naphthamide
CID 875995

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea?
The IUPAC name of 1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea (CID 24819051) is 1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea?
The canonical SMILES for 1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea is Cc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea?
The InChIKey is YKGHSQPGJOFYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-6-2-5-9-17(13)20-19(24)22-21-18(23)16-11-10-14-7-3-4-8-15(14)12-16/h2-12H,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea?
1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea has a molecular weight of 319.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(naphthalene-2-carbonylamino)urea is sourced from PubChem (CID 24819051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).