(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide

C18H28N2O — CID 9460338

IUPAC(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCCCCCC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-14-9-10-17(15(2)13-14)19-18(21)16(3)20-11-7-5-4-6-8-12-20/h9-10,13,16H,4-8,11-12H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKeyBXLILJQSRSDBFP-MRXNPFEDSA-N
MW288.44 g/mol
LogP3.90
Rot. Bonds3

About (2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide

(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 9460338) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
PubChem CID9460338
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCCCCCC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-14-9-10-17(15(2)13-14)19-18(21)16(3)20-11-7-5-4-6-8-12-20/h9-10,13,16H,4-8,11-12H2,1-3H3,(H,19,21)/t16-/m1/s1
InChIKeyBXLILJQSRSDBFP-MRXNPFEDSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
ethyl 4-[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431101
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
(2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide
CID 1332847
ethyl 1-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46631046
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9275187
(2R)-N-(2,4-dimethylphenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 52503740
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431689
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
CID 51334142

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of (2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide (CID 9460338) is (2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)N2CCCCCCC2)c(C)c1.
What is the InChIKey of (2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is BXLILJQSRSDBFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-9-10-17(15(2)13-14)19-18(21)16(3)20-11-7-5-4-6-8-12-20/h9-10,13,16H,4-8,11-12H2,1-3H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide?
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 9460338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).