(2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide

C19H32N2O — CID 129362140

IUPAC(2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide
SMILESCCCCN[C@H](C)C(=O)N(CCCC)c1c(C)cccc1C
InChIInChI=1S/C19H32N2O/c1-6-8-13-20-17(5)19(22)21(14-9-7-2)18-15(3)11-10-12-16(18)4/h10-12,17,20H,6-9,13-14H2,1-5H3/t17-/m1/s1
InChIKeyFRTNLSMKXBYECR-QGZVFWFLSA-N
MW304.48 g/mol
LogP4.21
Rot. Bonds9

About (2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide

(2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide (PubChem CID 129362140) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is (2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide
PubChem CID129362140
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name(2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide
SMILESCCCCN[C@H](C)C(=O)N(CCCC)c1c(C)cccc1C
InChIInChI=1S/C19H32N2O/c1-6-8-13-20-17(5)19(22)21(14-9-7-2)18-15(3)11-10-12-16(18)4/h10-12,17,20H,6-9,13-14H2,1-5H3/t17-/m1/s1
InChIKeyFRTNLSMKXBYECR-QGZVFWFLSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(N'-butylcarbamimidoyl)-1-(2,6-dimethylphenyl)urea
CID 152745111
2-(butylamino)-N-ethyl-N-methylpropanamide
CID 103107906
4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid
CID 22076671
N,N-dibutyl-2,6-dimethylaniline
CID 100917562
2-(N-butyl-2,6-dimethylanilino)acetic acid
CID 70523959
2-(2,6-dimethyl-N-pentylanilino)propanoic acid
CID 70524742
1,1-dibutyl-3-(2,3-dimethylphenyl)urea
CID 4157557
3-(N-heptyl-2,6-dimethylanilino)propanoic acid
CID 82319047
ethyl 2-(heptylamino)propanoate
CID 61498650
3-(N-heptyl-2,6-dimethylanilino)-2-methylpropanoic acid
CID 82319077
N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide
CID 11312129
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]propanamide
CID 113058073

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of (2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide (CID 129362140) is (2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for (2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for (2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide is CCCCN[C@H](C)C(=O)N(CCCC)c1c(C)cccc1C.
What is the InChIKey of (2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is FRTNLSMKXBYECR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H32N2O/c1-6-8-13-20-17(5)19(22)21(14-9-7-2)18-15(3)11-10-12-16(18)4/h10-12,17,20H,6-9,13-14H2,1-5H3/t17-/m1/s1.
What are the key properties of (2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide?
(2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 304.48 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-2-(butylamino)-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 129362140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).