1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea

C22H28N2O2 — CID 14555248

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NC1COc2ccccc2C1
InChIInChI=1S/C22H28N2O2/c1-14(2)18-9-7-10-19(15(3)4)21(18)24-22(25)23-17-12-16-8-5-6-11-20(16)26-13-17/h5-11,14-15,17H,12-13H2,1-4H3,(H2,23,24,25)
InChIKeyOPBNMMCQZJQAKW-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.06
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea

1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea (PubChem CID 14555248) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
PubChem CID14555248
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NC1COc2ccccc2C1
InChIInChI=1S/C22H28N2O2/c1-14(2)18-9-7-10-19(15(3)4)21(18)24-22(25)23-17-12-16-8-5-6-11-20(16)26-13-17/h5-11,14-15,17H,12-13H2,1-4H3,(H2,23,24,25)
InChIKeyOPBNMMCQZJQAKW-UHFFFAOYSA-N
XLogP5.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-ethoxyphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 24818440
1-(2,6-Diisopropyl-phenyl)-3-[1-(4-methoxy-phenyl)-cyclopentylmethyl]-urea
CID 10341424
1-(2,6-Diisopropyl-phenyl)-3-[2-(4-methoxy-benzylamino)-2-phenyl-ethyl]-urea
CID 10344201
1-[1-(3-Benzyloxy-phenyl)-cyclopentylmethyl]-3-(2,6-diisopropyl-phenyl)-urea
CID 11755096
1-[1-(4-Benzyloxy-phenyl)-cyclopentylmethyl]-3-(2,6-diisopropyl-phenyl)-urea
CID 15172069
1-(2,6-Diisopropyl-phenyl)-3-[2-(4-methoxy-benzylamino)-3-phenyl-propyl]-urea
CID 19820732
1-(2,6-Diisopropyl-phenyl)-3-[2-(4-methoxy-benzylamino)-4-methyl-pentyl]-urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea (CID 14555248) is 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NC1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea?
The InChIKey is OPBNMMCQZJQAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-14(2)18-9-7-10-19(15(3)4)21(18)24-22(25)23-17-12-16-8-5-6-11-20(16)26-13-17/h5-11,14-15,17H,12-13H2,1-4H3,(H2,23,24,25).
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea?
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2,6-di(propan-2-yl)phenyl]urea has a molecular weight of 352.48 g/mol, XLogP of 5.06, 4 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-[2,6-di(propan-2-yl)phenyl]urea is sourced from PubChem (CID 14555248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).