1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea

C24H33N3O — CID 14977528

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccnc2)CCCC1
InChIInChI=1S/C24H33N3O/c1-17(2)20-10-7-11-21(18(3)4)22(20)27-23(28)26-16-24(12-5-6-13-24)19-9-8-14-25-15-19/h7-11,14-15,17-18H,5-6,12-13,16H2,1-4H3,(H2,26,27,28)
InChIKeyPAOCTPCYNFKYCQ-UHFFFAOYSA-N
MW379.55 g/mol
LogP5.96
Rot. Bonds6

About 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea

1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea (PubChem CID 14977528) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea
PubChem CID14977528
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccnc2)CCCC1
InChIInChI=1S/C24H33N3O/c1-17(2)20-10-7-11-21(18(3)4)22(20)27-23(28)26-16-24(12-5-6-13-24)19-9-8-14-25-15-19/h7-11,14-15,17-18H,5-6,12-13,16H2,1-4H3,(H2,26,27,28)
InChIKeyPAOCTPCYNFKYCQ-UHFFFAOYSA-N
XLogP5.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 14977526
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-[4-(hydroxymethyl)phenyl]cyclopentyl]methyl]urea
CID 10476581
1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
CID 14977537
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
CID 80522632
1-[2,6-di(propan-2-yl)phenyl]-3-[(2-phenyl-1,3-dithiolan-2-yl)methyl]urea
CID 19781976
N-methyl-1-(1-pyridin-3-ylcyclobutyl)methanamine
CID 80522291
2-(dimethylamino)-N-[(1-pyridin-3-ylcyclopropyl)methyl]acetamide
CID 110479717
1-[[1-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 67793960
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea (CID 14977528) is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccnc2)CCCC1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea?
The InChIKey is PAOCTPCYNFKYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-17(2)20-10-7-11-21(18(3)4)22(20)27-23(28)26-16-24(12-5-6-13-24)19-9-8-14-25-15-19/h7-11,14-15,17-18H,5-6,12-13,16H2,1-4H3,(H2,26,27,28).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea has a molecular weight of 379.55 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea is sourced from PubChem (CID 14977528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).