(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide

C17H28N2O — CID 104897653

IUPAC(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
SMILESCC(C)CCCCCCNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-14(2)10-6-3-4-9-13-19-17(20)16(18)15-11-7-5-8-12-15/h5,7-8,11-12,14,16H,3-4,6,9-10,13,18H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyBBONXONSNABXFC-INIZCTEOSA-N
MW276.42 g/mol
LogP3.41
Rot. Bonds9

About (2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide

(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide (PubChem CID 104897653) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
PubChem CID104897653
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
SMILESCC(C)CCCCCCNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-14(2)10-6-3-4-9-13-19-17(20)16(18)15-11-7-5-8-12-15/h5,7-8,11-12,14,16H,3-4,6,9-10,13,18H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyBBONXONSNABXFC-INIZCTEOSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672
(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide
CID 114127295
2-amino-N-(3-formamidopropyl)-2-phenylacetamide
CID 110463054
2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
CID 119852800
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
CID 63960595
2-amino-N-(5-methylhexan-2-yl)-2-phenylacetamide
CID 43579340
2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290422
2-amino-N-ethyl-2-phenylacetamide
CID 22262703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide (CID 104897653) is (2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide is CC(C)CCCCCCNC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide?
The InChIKey is BBONXONSNABXFC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)10-6-3-4-9-13-19-17(20)16(18)15-11-7-5-8-12-15/h5,7-8,11-12,14,16H,3-4,6,9-10,13,18H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide?
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide has a molecular weight of 276.42 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide is sourced from PubChem (CID 104897653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).