(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide

C14H30N2O — CID 61179526

IUPAC(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
SMILESCCCCCCC(C)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H30N2O/c1-5-6-7-8-9-12(4)16-14(17)13(15)10-11(2)3/h11-13H,5-10,15H2,1-4H3,(H,16,17)/t12?,13-/m0/s1
InChIKeyIMBYFPKKTZQDCP-ABLWVSNPSA-N
MW242.41 g/mol
LogP2.83
Rot. Bonds9

About (2S)-2-amino-4-methyl-N-octan-2-ylpentanamide

(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide (PubChem CID 61179526) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-octan-2-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
PubChem CID61179526
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
SMILESCCCCCCC(C)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H30N2O/c1-5-6-7-8-9-12(4)16-14(17)13(15)10-11(2)3/h11-13H,5-10,15H2,1-4H3,(H,16,17)/t12?,13-/m0/s1
InChIKeyIMBYFPKKTZQDCP-ABLWVSNPSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.83
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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Related Compounds

(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
2-amino-N-octan-2-ylbutanamide
CID 43711439
methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate
CID 11738548
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
CID 104903890
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
2-amino-5-methoxy-N-octan-2-ylpentanamide
CID 81083239
(2S)-2-amino-N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]-4-methylpentanamide
CID 148549445
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
CID 119796588
4-amino-2-methyltetradecan-5-one
CID 116553430
2-hydroxy-N-octadecan-2-ylpentadecanamide
CID 139787818
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-octan-2-ylpentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-octan-2-ylpentanamide (CID 61179526) is (2S)-2-amino-4-methyl-N-octan-2-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-octan-2-ylpentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-octan-2-ylpentanamide is CCCCCCC(C)NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-octan-2-ylpentanamide?
The InChIKey is IMBYFPKKTZQDCP-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-7-8-9-12(4)16-14(17)13(15)10-11(2)3/h11-13H,5-10,15H2,1-4H3,(H,16,17)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-octan-2-ylpentanamide?
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide has a molecular weight of 242.41 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-octan-2-ylpentanamide is sourced from PubChem (CID 61179526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).