N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea

C17H29N5O3 — CID 91614340

IUPACN-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea
SMILESCC1(NC(=O)Nc2nccc(=O)[nH]2)CCCCC1.CCNC(=O)CC
InChIInChI=1S/C12H18N4O2.C5H11NO/c1-12(6-3-2-4-7-12)16-11(18)15-10-13-8-5-9(17)14-10;1-3-5(7)6-4-2/h5,8H,2-4,6-7H2,1H3,(H3,13,14,15,16,17,18);3-4H2,1-2H3,(H,6,7)
InChIKeyVTOIEPCDXBUOJB-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.15
Rot. Bonds4

About N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea

N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 91614340) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound NameN-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID91614340
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC NameN-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea
SMILESCC1(NC(=O)Nc2nccc(=O)[nH]2)CCCCC1.CCNC(=O)CC
InChIInChI=1S/C12H18N4O2.C5H11NO/c1-12(6-3-2-4-7-12)16-11(18)15-10-13-8-5-9(17)14-10;1-3-5(7)6-4-2/h5,8H,2-4,6-7H2,1H3,(H3,13,14,15,16,17,18);3-4H2,1-2H3,(H,6,7)
InChIKeyVTOIEPCDXBUOJB-UHFFFAOYSA-N
XLogP2.15
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea (CID 91614340) is N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea is CC1(NC(=O)Nc2nccc(=O)[nH]2)CCCCC1.CCNC(=O)CC.
What is the InChIKey of N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is VTOIEPCDXBUOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.C5H11NO/c1-12(6-3-2-4-7-12)16-11(18)15-10-13-8-5-9(17)14-10;1-3-5(7)6-4-2/h5,8H,2-4,6-7H2,1H3,(H3,13,14,15,16,17,18);3-4H2,1-2H3,(H,6,7).
What are the key properties of N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea?
N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 351.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpropanamide;1-(1-methylcyclohexyl)-3-(6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 91614340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).