1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea

C40H80N6O2 — CID 56637126

IUPAC1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
SMILESCCC(C)N(C(=O)N(CCN(C(=O)N(C(C)CC)C(C)CC)C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1)C(C)CC
InChIInChI=1S/C40H80N6O2/c1-19-29(5)45(30(6)20-2)35(47)43(33-25-37(9,10)41(17)38(11,12)26-33)23-24-44(36(48)46(31(7)21-3)32(8)22-4)34-27-39(13,14)42(18)40(15,16)28-34/h29-34H,19-28H2,1-18H3
InChIKeyLYHCAMGTIKYSFJ-UHFFFAOYSA-N
MW677.12 g/mol
LogP8.93
Rot. Bonds13

About 1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea

1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea (PubChem CID 56637126) has the molecular formula C40H80N6O2 and a molecular weight of 677.12 g/mol. Its IUPAC name is 1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
PubChem CID56637126
Molecular FormulaC40H80N6O2
Molecular Weight677.12 g/mol
Exact Mass676.63
IUPAC Name1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
SMILESCCC(C)N(C(=O)N(CCN(C(=O)N(C(C)CC)C(C)CC)C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1)C(C)CC
InChIInChI=1S/C40H80N6O2/c1-19-29(5)45(30(6)20-2)35(47)43(33-25-37(9,10)41(17)38(11,12)26-33)23-24-44(36(48)46(31(7)21-3)32(8)22-4)34-27-39(13,14)42(18)40(15,16)28-34/h29-34H,19-28H2,1-18H3
InChIKeyLYHCAMGTIKYSFJ-UHFFFAOYSA-N
XLogP8.93
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.12
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-(2-fluoroethyl)-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168090236
N-[6-[formyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]hexyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)formamide
CID 11271554
1,3-Bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
CID 19790580
1,5-Bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazepane-2,4-dione
CID 20303776
1,5-Bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)-1,3,5-triazepane-2,4-dione
CID 20303777
3,6-Dimethyl-1,5-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazepane-2,4-dione
CID 20303778
1,5-Bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazepane-2,4-dione
CID 20303781
3-Methyl-1,5-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazepane-2,4-dione
CID 20303782
3-Butyl-1,5-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazepane-2,4-dione
CID 20303783
1,5-Bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazepane-2,4-dione
CID 20303784
3-Butyl-1,5-bis(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazepane-2,4-dione
CID 20303786
1,5-Bis(1-hexyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazepane-2,4-dione
CID 20303787

Frequently Asked Questions

What is the IUPAC name of 1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
The IUPAC name of 1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea (CID 56637126) is 1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea.
What is the SMILES notation for 1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
The canonical SMILES for 1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea is CCC(C)N(C(=O)N(CCN(C(=O)N(C(C)CC)C(C)CC)C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1)C(C)CC.
What is the InChIKey of 1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
The InChIKey is LYHCAMGTIKYSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H80N6O2/c1-19-29(5)45(30(6)20-2)35(47)43(33-25-37(9,10)41(17)38(11,12)26-33)23-24-44(36(48)46(31(7)21-3)32(8)22-4)34-27-39(13,14)42(18)40(15,16)28-34/h29-34H,19-28H2,1-18H3.
What are the key properties of 1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea has a molecular weight of 677.12 g/mol, XLogP of 8.93, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea is sourced from PubChem (CID 56637126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).