1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea

C15H30N6O3 — CID 7190812

IUPAC1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)N[C@@H]1[C@@H](NC(=O)NCC(C)C)N(C)C(=O)N1C
InChIInChI=1S/C15H30N6O3/c1-9(2)7-16-13(22)18-11-12(21(6)15(24)20(11)5)19-14(23)17-8-10(3)4/h9-12H,7-8H2,1-6H3,(H2,16,18,22)(H2,17,19,23)/t11-,12-/m0/s1
InChIKeyKCCHRVUUFCHUHT-RYUDHWBXSA-N
MW342.44 g/mol
LogP0.55
Rot. Bonds6

About 1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea

1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea (PubChem CID 7190812) has the molecular formula C15H30N6O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea
PubChem CID7190812
Molecular FormulaC15H30N6O3
Molecular Weight342.44 g/mol
Exact Mass342.24
IUPAC Name1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)N[C@@H]1[C@@H](NC(=O)NCC(C)C)N(C)C(=O)N1C
InChIInChI=1S/C15H30N6O3/c1-9(2)7-16-13(22)18-11-12(21(6)15(24)20(11)5)19-14(23)17-8-10(3)4/h9-12H,7-8H2,1-6H3,(H2,16,18,22)(H2,17,19,23)/t11-,12-/m0/s1
InChIKeyKCCHRVUUFCHUHT-RYUDHWBXSA-N
XLogP0.55
TPSA105.81 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea (CID 7190812) is 1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)N[C@@H]1[C@@H](NC(=O)NCC(C)C)N(C)C(=O)N1C.
What is the InChIKey of 1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea?
The InChIKey is KCCHRVUUFCHUHT-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H30N6O3/c1-9(2)7-16-13(22)18-11-12(21(6)15(24)20(11)5)19-14(23)17-8-10(3)4/h9-12H,7-8H2,1-6H3,(H2,16,18,22)(H2,17,19,23)/t11-,12-/m0/s1.
What are the key properties of 1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea?
1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea has a molecular weight of 342.44 g/mol, XLogP of 0.55, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 7190812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).