3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide

C16H27N3O2 — CID 138010596

IUPAC3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide
SMILESNC(=O)C1CC(NC(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C1
InChIInChI=1S/C16H27N3O2/c17-15(20)11-6-13(7-11)19-16(21)18-9-12-8-14(12)10-4-2-1-3-5-10/h10-14H,1-9H2,(H2,17,20)(H2,18,19,21)/t11?,12-,13?,14-/m0/s1
InChIKeyJIOSSLSZVACLLC-YIOUJQMASA-N
MW293.41 g/mol
LogP1.77
Rot. Bonds5

About 3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide

3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide (PubChem CID 138010596) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide
PubChem CID138010596
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide
SMILESNC(=O)C1CC(NC(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C1
InChIInChI=1S/C16H27N3O2/c17-15(20)11-6-13(7-11)19-16(21)18-9-12-8-14(12)10-4-2-1-3-5-10/h10-14H,1-9H2,(H2,17,20)(H2,18,19,21)/t11?,12-,13?,14-/m0/s1
InChIKeyJIOSSLSZVACLLC-YIOUJQMASA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-[(2-methylcyclopropyl)methyl]urea
CID 115582567
1-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 138049657
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea
CID 26974944
1-[[(1S,2R)-2-cyclohexylcyclopropyl]methyl]-3-(pyrimidin-2-ylmethyl)urea
CID 164629970
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
CID 165447997
bicyclo[3.2.0]heptane-3-carboxamide
CID 53431016
N-[[(1S,2R)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 164638984
N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 128891590
1-[(2-aminocyclohexyl)methyl]-3-ethylurea
CID 64927851

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide?
The IUPAC name of 3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide (CID 138010596) is 3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide is NC(=O)C1CC(NC(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C1.
What is the InChIKey of 3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide?
The InChIKey is JIOSSLSZVACLLC-YIOUJQMASA-N. The full InChI is InChI=1S/C16H27N3O2/c17-15(20)11-6-13(7-11)19-16(21)18-9-12-8-14(12)10-4-2-1-3-5-10/h10-14H,1-9H2,(H2,17,20)(H2,18,19,21)/t11?,12-,13?,14-/m0/s1.
What are the key properties of 3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide?
3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2S)-2-cyclohexylcyclopropyl]methylcarbamoylamino]cyclobutane-1-carboxamide is sourced from PubChem (CID 138010596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).