1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea

C16H28N4O2 — CID 26974860

IUPAC1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
SMILESO=C(NC[C@@H]1CCC[C@@H](CNC(=O)NC2CC2)C1)NC1CC1
InChIInChI=1S/C16H28N4O2/c21-15(19-13-4-5-13)17-9-11-2-1-3-12(8-11)10-18-16(22)20-14-6-7-14/h11-14H,1-10H2,(H2,17,19,21)(H2,18,20,22)/t11-,12-/m1/s1
InChIKeyNKUVOOXKLZGQEI-VXGBXAGGSA-N
MW308.43 g/mol
LogP1.72
Rot. Bonds6

About 1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea

1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea (PubChem CID 26974860) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
PubChem CID26974860
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
SMILESO=C(NC[C@@H]1CCC[C@@H](CNC(=O)NC2CC2)C1)NC1CC1
InChIInChI=1S/C16H28N4O2/c21-15(19-13-4-5-13)17-9-11-2-1-3-12(8-11)10-18-16(22)20-14-6-7-14/h11-14H,1-10H2,(H2,17,19,21)(H2,18,20,22)/t11-,12-/m1/s1
InChIKeyNKUVOOXKLZGQEI-VXGBXAGGSA-N
XLogP1.72
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea with MolForge

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Related Compounds

1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
CID 106125254
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
CID 165447997
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
1-(cyclobutylmethyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea
CID 47186734
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
CID 107295545
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
1-[(3-aminocyclobutyl)methyl]-3-[4-(dimethylamino)cyclohexyl]urea
CID 146109282
1-[4-[2-[(1S,8R)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]ethyl]cyclohexyl]-3-[[3-[[[4-[2-[(1S,8R)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]ethyl]cyclohexyl]carbamoylamino]methyl]cyclohexyl]methyl]urea;2,2,2-trifluoroacetic acid
CID 158721523

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea (CID 26974860) is 1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea is O=C(NC[C@@H]1CCC[C@@H](CNC(=O)NC2CC2)C1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea?
The InChIKey is NKUVOOXKLZGQEI-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H28N4O2/c21-15(19-13-4-5-13)17-9-11-2-1-3-12(8-11)10-18-16(22)20-14-6-7-14/h11-14H,1-10H2,(H2,17,19,21)(H2,18,20,22)/t11-,12-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea?
1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea has a molecular weight of 308.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea is sourced from PubChem (CID 26974860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).