1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea

C15H19N3O3 — CID 50762048

IUPAC1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea
SMILESCCC(C)NC(=O)Nc1c(NC)c2ccccc2oc1=O
InChIInChI=1S/C15H19N3O3/c1-4-9(2)17-15(20)18-13-12(16-3)10-7-5-6-8-11(10)21-14(13)19/h5-9,16H,4H2,1-3H3,(H2,17,18,20)
InChIKeyAVQHRXHVKSZVIX-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.75
Rot. Bonds4

About 1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea

1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea (PubChem CID 50762048) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea
PubChem CID50762048
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea
SMILESCCC(C)NC(=O)Nc1c(NC)c2ccccc2oc1=O
InChIInChI=1S/C15H19N3O3/c1-4-9(2)17-15(20)18-13-12(16-3)10-7-5-6-8-11(10)21-14(13)19/h5-9,16H,4H2,1-3H3,(H2,17,18,20)
InChIKeyAVQHRXHVKSZVIX-UHFFFAOYSA-N
XLogP2.75
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-butan-2-yl]-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 35396976
1-[(2S)-butan-2-yl]-3-[4-(cyclopentylamino)-2-oxochromen-3-yl]urea
CID 98274767
1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea
CID 6471719
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
CID 6471934
1-[4-(methylamino)-2-oxochromen-3-yl]-3-(2-methylphenyl)urea
CID 39735085
1-(4-methoxyphenyl)-3-[4-(methylamino)-2-oxochromen-3-yl]urea
CID 6471218
3-amino-4-[[(2R)-butan-2-yl]amino]chromen-2-one
CID 687355
1-benzyl-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 50762055
N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
CID 22433883
N-butan-2-yl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 5202934
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
1-(4-chlorophenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 35397184

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea?
The IUPAC name of 1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea (CID 50762048) is 1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea?
The canonical SMILES for 1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea is CCC(C)NC(=O)Nc1c(NC)c2ccccc2oc1=O.
What is the InChIKey of 1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea?
The InChIKey is AVQHRXHVKSZVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-9(2)17-15(20)18-13-12(16-3)10-7-5-6-8-11(10)21-14(13)19/h5-9,16H,4H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea?
1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea has a molecular weight of 289.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea is sourced from PubChem (CID 50762048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).