(2R)-2-amino-N,N-dihexyl-4-methylpentanamide

C18H38N2O — CID 104903090

IUPAC(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
SMILESCCCCCCN(CCCCCC)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C18H38N2O/c1-5-7-9-11-13-20(14-12-10-8-6-2)18(21)17(19)15-16(3)4/h16-17H,5-15,19H2,1-4H3/t17-/m1/s1
InChIKeyBIOMWHNHABFNQD-QGZVFWFLSA-N
MW298.51 g/mol
LogP4.35
Rot. Bonds13

About (2R)-2-amino-N,N-dihexyl-4-methylpentanamide

(2R)-2-amino-N,N-dihexyl-4-methylpentanamide (PubChem CID 104903090) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is (2R)-2-amino-N,N-dihexyl-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
PubChem CID104903090
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
SMILESCCCCCCN(CCCCCC)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C18H38N2O/c1-5-7-9-11-13-20(14-12-10-8-6-2)18(21)17(19)15-16(3)4/h16-17H,5-15,19H2,1-4H3/t17-/m1/s1
InChIKeyBIOMWHNHABFNQD-QGZVFWFLSA-N
XLogP4.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 54.35
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

(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
CID 61164908
(2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide
CID 61164222
2-amino-N,N-dihexylpropanamide
CID 54872127
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992753
(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102993062
(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide
CID 104907780
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
2-chloro-N,N-dihexylpropanamide
CID 533081
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
4-amino-2-methyltetradecan-5-one
CID 116553430

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,N-dihexyl-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N,N-dihexyl-4-methylpentanamide (CID 104903090) is (2R)-2-amino-N,N-dihexyl-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N,N-dihexyl-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N,N-dihexyl-4-methylpentanamide is CCCCCCN(CCCCCC)C(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-N,N-dihexyl-4-methylpentanamide?
The InChIKey is BIOMWHNHABFNQD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H38N2O/c1-5-7-9-11-13-20(14-12-10-8-6-2)18(21)17(19)15-16(3)4/h16-17H,5-15,19H2,1-4H3/t17-/m1/s1.
What are the key properties of (2R)-2-amino-N,N-dihexyl-4-methylpentanamide?
(2R)-2-amino-N,N-dihexyl-4-methylpentanamide has a molecular weight of 298.51 g/mol, XLogP of 4.35, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,N-dihexyl-4-methylpentanamide is sourced from PubChem (CID 104903090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).