(2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide

C17H33N3O2 — CID 95291657

IUPAC(2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide
SMILESC[C@H](NC(=O)CC1CCCCC1)C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C17H33N3O2/c1-13(16(22)18-12-17(2,3)20(4)5)19-15(21)11-14-9-7-6-8-10-14/h13-14H,6-12H2,1-5H3,(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyMLSADFQATQLWNB-ZDUSSCGKSA-N
MW311.47 g/mol
LogP1.92
Rot. Bonds7

About (2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide

(2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide (PubChem CID 95291657) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide
PubChem CID95291657
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide
SMILESC[C@H](NC(=O)CC1CCCCC1)C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C17H33N3O2/c1-13(16(22)18-12-17(2,3)20(4)5)19-15(21)11-14-9-7-6-8-10-14/h13-14H,6-12H2,1-5H3,(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyMLSADFQATQLWNB-ZDUSSCGKSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide?
The IUPAC name of (2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide (CID 95291657) is (2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide.
What is the SMILES notation for (2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide?
The canonical SMILES for (2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide is C[C@H](NC(=O)CC1CCCCC1)C(=O)NCC(C)(C)N(C)C.
What is the InChIKey of (2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide?
The InChIKey is MLSADFQATQLWNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-13(16(22)18-12-17(2,3)20(4)5)19-15(21)11-14-9-7-6-8-10-14/h13-14H,6-12H2,1-5H3,(H,18,22)(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide?
(2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide has a molecular weight of 311.47 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclohexylacetyl)amino]-N-[2-(dimethylamino)-2-methylpropyl]propanamide is sourced from PubChem (CID 95291657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).