(2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide

C15H28N2O2 — CID 129012998

IUPAC(2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide
SMILES[2H]C(=O)C(C)(C)C1CCCCC1NC(=O)[C@H](C)N(C)C
InChIInChI=1S/C15H28N2O2/c1-11(17(4)5)14(19)16-13-9-7-6-8-12(13)15(2,3)10-18/h10-13H,6-9H2,1-5H3,(H,16,19)/t11-,12?,13?/m0/s1/i10D
InChIKeyFLDIMYWIUJGALV-FPFVGCFPSA-N
MW269.41 g/mol
LogP1.84
Rot. Bonds5

About (2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide

(2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide (PubChem CID 129012998) has the molecular formula C15H28N2O2 and a molecular weight of 269.41 g/mol. Its IUPAC name is (2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide
PubChem CID129012998
Molecular FormulaC15H28N2O2
Molecular Weight269.41 g/mol
Exact Mass269.22
IUPAC Name(2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide
SMILES[2H]C(=O)C(C)(C)C1CCCCC1NC(=O)[C@H](C)N(C)C
InChIInChI=1S/C15H28N2O2/c1-11(17(4)5)14(19)16-13-9-7-6-8-12(13)15(2,3)10-18/h10-13H,6-9H2,1-5H3,(H,16,19)/t11-,12?,13?/m0/s1/i10D
InChIKeyFLDIMYWIUJGALV-FPFVGCFPSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide 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

(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
N-(2-tert-butylcyclohexyl)-2-methoxypropanamide
CID 112685778
2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
CID 119285417
2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
CID 43699363
2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide
CID 116675144
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 124857090
(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
CID 61174579
(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61178090
(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
CID 61177900
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide
CID 96554576
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
CID 109398455

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide?
The IUPAC name of (2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide (CID 129012998) is (2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide.
What is the SMILES notation for (2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide?
The canonical SMILES for (2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide is [2H]C(=O)C(C)(C)C1CCCCC1NC(=O)[C@H](C)N(C)C.
What is the InChIKey of (2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide?
The InChIKey is FLDIMYWIUJGALV-FPFVGCFPSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(17(4)5)14(19)16-13-9-7-6-8-12(13)15(2,3)10-18/h10-13H,6-9H2,1-5H3,(H,16,19)/t11-,12?,13?/m0/s1/i10D.
What are the key properties of (2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide?
(2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide has a molecular weight of 269.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide is sourced from PubChem (CID 129012998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).