(2S)-2-amino-N-dodecyl-3-methylpentanamide

C18H38N2O — CID 88629494

IUPAC(2S)-2-amino-N-dodecyl-3-methylpentanamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C18H38N2O/c1-4-6-7-8-9-10-11-12-13-14-15-20-18(21)17(19)16(3)5-2/h16-17H,4-15,19H2,1-3H3,(H,20,21)/t16?,17-/m0/s1
InChIKeySRNOQVLKBNEKAX-DJNXLDHESA-N
MW298.52 g/mol
LogP4.40
Rot. Bonds14

About (2S)-2-amino-N-dodecyl-3-methylpentanamide

(2S)-2-amino-N-dodecyl-3-methylpentanamide (PubChem CID 88629494) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is (2S)-2-amino-N-dodecyl-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-dodecyl-3-methylpentanamide
PubChem CID88629494
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC Name(2S)-2-amino-N-dodecyl-3-methylpentanamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C18H38N2O/c1-4-6-7-8-9-10-11-12-13-14-15-20-18(21)17(19)16(3)5-2/h16-17H,4-15,19H2,1-3H3,(H,20,21)/t16?,17-/m0/s1
InChIKeySRNOQVLKBNEKAX-DJNXLDHESA-N
XLogP4.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-dodecyl-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-dodecyl-3-methylpentanamide (CID 88629494) is (2S)-2-amino-N-dodecyl-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-dodecyl-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-dodecyl-3-methylpentanamide is CCCCCCCCCCCCNC(=O)[C@@H](N)C(C)CC.
What is the InChIKey of (2S)-2-amino-N-dodecyl-3-methylpentanamide?
The InChIKey is SRNOQVLKBNEKAX-DJNXLDHESA-N. The full InChI is InChI=1S/C18H38N2O/c1-4-6-7-8-9-10-11-12-13-14-15-20-18(21)17(19)16(3)5-2/h16-17H,4-15,19H2,1-3H3,(H,20,21)/t16?,17-/m0/s1.
What are the key properties of (2S)-2-amino-N-dodecyl-3-methylpentanamide?
(2S)-2-amino-N-dodecyl-3-methylpentanamide has a molecular weight of 298.52 g/mol, XLogP of 4.40, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-dodecyl-3-methylpentanamide is sourced from PubChem (CID 88629494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).