1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea

C13H18N2O2 — CID 46357538

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
SMILESCCCNC(=O)NC1COc2ccccc2C1
InChIInChI=1S/C13H18N2O2/c1-2-7-14-13(16)15-11-8-10-5-3-4-6-12(10)17-9-11/h3-6,11H,2,7-9H2,1H3,(H2,14,15,16)
InChIKeyJFENGWIXZYBAHH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.70
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea

1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea (PubChem CID 46357538) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
PubChem CID46357538
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
SMILESCCCNC(=O)NC1COc2ccccc2C1
InChIInChI=1S/C13H18N2O2/c1-2-7-14-13(16)15-11-8-10-5-3-4-6-12(10)17-9-11/h3-6,11H,2,7-9H2,1H3,(H2,14,15,16)
InChIKeyJFENGWIXZYBAHH-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea
CID 92765157
1-(3,4-dihydro-2H-chromen-3-yl)-3-[3-(4-ethylpiperazin-1-yl)propyl]urea
CID 22580823
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-[(3S)-3,4-dihydro-2H-chromen-3-yl]urea
CID 92765158
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea
CID 92713540
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 92713528
N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119734025
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
CID 92713508

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea (CID 46357538) is 1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea is CCCNC(=O)NC1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea?
The InChIKey is JFENGWIXZYBAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-7-14-13(16)15-11-8-10-5-3-4-6-12(10)17-9-11/h3-6,11H,2,7-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea?
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea has a molecular weight of 234.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea is sourced from PubChem (CID 46357538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).