1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea

C18H28N4O2 — CID 92765157

IUPAC1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea
SMILESCCN1CCN(CCNC(=O)N[C@H]2COc3ccccc3C2)CC1
InChIInChI=1S/C18H28N4O2/c1-2-21-9-11-22(12-10-21)8-7-19-18(23)20-16-13-15-5-3-4-6-17(15)24-14-16/h3-6,16H,2,7-14H2,1H3,(H2,19,20,23)/t16-/m1/s1
InChIKeyYAACUZHEWWCIOL-MRXNPFEDSA-N
MW332.45 g/mol
LogP0.93
Rot. Bonds5

About 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea

1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea (PubChem CID 92765157) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea
PubChem CID92765157
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea
SMILESCCN1CCN(CCNC(=O)N[C@H]2COc3ccccc3C2)CC1
InChIInChI=1S/C18H28N4O2/c1-2-21-9-11-22(12-10-21)8-7-19-18(23)20-16-13-15-5-3-4-6-17(15)24-14-16/h3-6,16H,2,7-14H2,1H3,(H2,19,20,23)/t16-/m1/s1
InChIKeyYAACUZHEWWCIOL-MRXNPFEDSA-N
XLogP0.93
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea with MolForge

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-3-[3-(4-ethylpiperazin-1-yl)propyl]urea
CID 22580823
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-[(3S)-3,4-dihydro-2H-chromen-3-yl]urea
CID 92765158
N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578144
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204
1-(3,4-dihydro-2H-chromen-3-yl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 22580866
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
CID 100729075
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea
CID 92713540
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 118770631
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-[1-(4-ethyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
CID 129347080

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea (CID 92765157) is 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea is CCN1CCN(CCNC(=O)N[C@H]2COc3ccccc3C2)CC1.
What is the InChIKey of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea?
The InChIKey is YAACUZHEWWCIOL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-21-9-11-22(12-10-21)8-7-19-18(23)20-16-13-15-5-3-4-6-17(15)24-14-16/h3-6,16H,2,7-14H2,1H3,(H2,19,20,23)/t16-/m1/s1.
What are the key properties of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea?
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea has a molecular weight of 332.45 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 92765157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).