(2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide

C14H30N2O3 — CID 15228367

IUPAC(2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide
SMILESCCCCC(NC(=O)[C@@H](N)CC(C)C)C(OC)OC
InChIInChI=1S/C14H30N2O3/c1-6-7-8-12(14(18-4)19-5)16-13(17)11(15)9-10(2)3/h10-12,14H,6-9,15H2,1-5H3,(H,16,17)/t11-,12?/m0/s1
InChIKeyDWTUSLHFJDFAFE-PXYINDEMSA-N
MW274.40 g/mol
LogP1.65
Rot. Bonds10

About (2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide

(2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide (PubChem CID 15228367) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide
PubChem CID15228367
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name(2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide
SMILESCCCCC(NC(=O)[C@@H](N)CC(C)C)C(OC)OC
InChIInChI=1S/C14H30N2O3/c1-6-7-8-12(14(18-4)19-5)16-13(17)11(15)9-10(2)3/h10-12,14H,6-9,15H2,1-5H3,(H,16,17)/t11-,12?/m0/s1
InChIKeyDWTUSLHFJDFAFE-PXYINDEMSA-N
XLogP1.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate
CID 11738548
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
(2S)-2-amino-N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]-4-methylpentanamide
CID 148549445
(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61470844
2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472316
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380
methyl (2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoate
CID 15017829
methyl (2S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoate
CID 43707626
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 15598024
methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate
CID 170220008
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
CID 19826425

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide (CID 15228367) is (2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide is CCCCC(NC(=O)[C@@H](N)CC(C)C)C(OC)OC.
What is the InChIKey of (2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide?
The InChIKey is DWTUSLHFJDFAFE-PXYINDEMSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-6-7-8-12(14(18-4)19-5)16-13(17)11(15)9-10(2)3/h10-12,14H,6-9,15H2,1-5H3,(H,16,17)/t11-,12?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide?
(2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide has a molecular weight of 274.40 g/mol, XLogP of 1.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 15228367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).