(2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide

C12H22N2O2 — CID 18658340

IUPAC(2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide
SMILESC[C@H](N)C(=O)N(C1CCCCC1)[C@@H](C)C=O
InChIInChI=1S/C12H22N2O2/c1-9(8-15)14(12(16)10(2)13)11-6-4-3-5-7-11/h8-11H,3-7,13H2,1-2H3/t9-,10-/m0/s1
InChIKeyLGQDUIXSJKNPNF-UWVGGRQHSA-N
MW226.32 g/mol
LogP1.08
Rot. Bonds4

About (2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide

(2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide (PubChem CID 18658340) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide
PubChem CID18658340
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide
SMILESC[C@H](N)C(=O)N(C1CCCCC1)[C@@H](C)C=O
InChIInChI=1S/C12H22N2O2/c1-9(8-15)14(12(16)10(2)13)11-6-4-3-5-7-11/h8-11H,3-7,13H2,1-2H3/t9-,10-/m0/s1
InChIKeyLGQDUIXSJKNPNF-UWVGGRQHSA-N
XLogP1.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide with MolForge

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Related Compounds

2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate
CID 140993360
[(2S)-2-aminopropanoyl]-cyclohexylsulfamic acid
CID 123813520
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
CID 13089672
(2S)-2-amino-N-cyclopentyl-N-prop-2-enylpropanamide
CID 61145863
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
1-[carbamoyl(cyclohexyl)amino]ethyl prop-2-enoate
CID 67747543
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
CID 20752266
N-cyclohexyl-N-(1-hydroxyethyl)prop-2-enamide
CID 23224348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide (CID 18658340) is (2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide is C[C@H](N)C(=O)N(C1CCCCC1)[C@@H](C)C=O.
What is the InChIKey of (2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide?
The InChIKey is LGQDUIXSJKNPNF-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(8-15)14(12(16)10(2)13)11-6-4-3-5-7-11/h8-11H,3-7,13H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide?
(2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide has a molecular weight of 226.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclohexyl-N-[(2S)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 18658340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).