N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide

C18H32N2O2 — CID 124857090

IUPACN-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESC[C@H](NC(=O)C1CCC1)C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C
InChIInChI=1S/C18H32N2O2/c1-12(19-17(22)13-8-7-9-13)16(21)20-15-11-6-5-10-14(15)18(2,3)4/h12-15H,5-11H2,1-4H3,(H,19,22)(H,20,21)/t12-,14+,15-/m0/s1
InChIKeyYYZRYUPTWHKZOC-CFVMTHIKSA-N
MW308.47 g/mol
LogP3.01
Rot. Bonds4

About N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide

N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide (PubChem CID 124857090) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
PubChem CID124857090
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESC[C@H](NC(=O)C1CCC1)C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C
InChIInChI=1S/C18H32N2O2/c1-12(19-17(22)13-8-7-9-13)16(21)20-15-11-6-5-10-14(15)18(2,3)4/h12-15H,5-11H2,1-4H3,(H,19,22)(H,20,21)/t12-,14+,15-/m0/s1
InChIKeyYYZRYUPTWHKZOC-CFVMTHIKSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-(2-tert-butylcyclohexyl)cyclobutanecarboxamide
CID 6466635
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 47400512
N-[(2R)-1-[[(1R,2S)-2-methylcyclopropyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 95702443
2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
CID 119285417
N-(2-tert-butylcyclohexyl)-2-methoxypropanamide
CID 112685778
2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
CID 43699363
3-amino-N-(2-tert-butylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119716258
2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide
CID 116675144
N-[(2S)-1-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 97000585
N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 97000583
(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
CID 61174579
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide (CID 124857090) is N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide is C[C@H](NC(=O)C1CCC1)C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C.
What is the InChIKey of N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The InChIKey is YYZRYUPTWHKZOC-CFVMTHIKSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-12(19-17(22)13-8-7-9-13)16(21)20-15-11-6-5-10-14(15)18(2,3)4/h12-15H,5-11H2,1-4H3,(H,19,22)(H,20,21)/t12-,14+,15-/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide has a molecular weight of 308.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 124857090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).