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

C17H36N2O — CID 71400476

IUPAC(2S)-2-amino-N-dodecyl-3-methylbutanamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(20)16(18)15(2)3/h15-16H,4-14,18H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyUEGMHPIJOZCPQU-INIZCTEOSA-N
MW284.49 g/mol
LogP4.01
Rot. Bonds13

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

(2S)-2-amino-N-dodecyl-3-methylbutanamide (PubChem CID 71400476) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is (2S)-2-amino-N-dodecyl-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-dodecyl-3-methylbutanamide
PubChem CID71400476
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name(2S)-2-amino-N-dodecyl-3-methylbutanamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(20)16(18)15(2)3/h15-16H,4-14,18H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyUEGMHPIJOZCPQU-INIZCTEOSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.01
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-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-dodecyl-3-methylbutanamide (CID 71400476) is (2S)-2-amino-N-dodecyl-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-dodecyl-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-dodecyl-3-methylbutanamide is CCCCCCCCCCCCNC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-dodecyl-3-methylbutanamide?
The InChIKey is UEGMHPIJOZCPQU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-13-14-19-17(20)16(18)15(2)3/h15-16H,4-14,18H2,1-3H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-dodecyl-3-methylbutanamide?
(2S)-2-amino-N-dodecyl-3-methylbutanamide has a molecular weight of 284.49 g/mol, XLogP of 4.01, 13 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-methylbutanamide is sourced from PubChem (CID 71400476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).