1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea

C18H37N3O — CID 166297621

IUPAC1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea
SMILESCCN(CC)CC(C)NC(=O)N(C)C1CCCC1C(C)(C)C
InChIInChI=1S/C18H37N3O/c1-8-21(9-2)13-14(3)19-17(22)20(7)16-12-10-11-15(16)18(4,5)6/h14-16H,8-13H2,1-7H3,(H,19,22)
InChIKeyOJMWNEKBOUJQRM-UHFFFAOYSA-N
MW311.51 g/mol
LogP3.57
Rot. Bonds6

About 1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea

1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea (PubChem CID 166297621) has the molecular formula C18H37N3O and a molecular weight of 311.51 g/mol. Its IUPAC name is 1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea.

Molecular Properties

Compound Name1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea
PubChem CID166297621
Molecular FormulaC18H37N3O
Molecular Weight311.51 g/mol
Exact Mass311.29
IUPAC Name1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea
SMILESCCN(CC)CC(C)NC(=O)N(C)C1CCCC1C(C)(C)C
InChIInChI=1S/C18H37N3O/c1-8-21(9-2)13-14(3)19-17(22)20(7)16-12-10-11-15(16)18(4,5)6/h14-16H,8-13H2,1-7H3,(H,19,22)
InChIKeyOJMWNEKBOUJQRM-UHFFFAOYSA-N
XLogP3.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea?
The IUPAC name of 1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea (CID 166297621) is 1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea.
What is the SMILES notation for 1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea?
The canonical SMILES for 1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea is CCN(CC)CC(C)NC(=O)N(C)C1CCCC1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea?
The InChIKey is OJMWNEKBOUJQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O/c1-8-21(9-2)13-14(3)19-17(22)20(7)16-12-10-11-15(16)18(4,5)6/h14-16H,8-13H2,1-7H3,(H,19,22).
What are the key properties of 1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea?
1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea has a molecular weight of 311.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea is sourced from PubChem (CID 166297621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).