(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide

C17H28N2O2 — CID 119739711

IUPAC(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCOCCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)13-16(18)17(20)19-10-6-11-21-12-9-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13,18H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyQYYRXXUIJJHIMF-INIZCTEOSA-N
MW292.42 g/mol
LogP2.13
Rot. Bonds10

About (2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide

(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide (PubChem CID 119739711) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
PubChem CID119739711
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCCOCCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)13-16(18)17(20)19-10-6-11-21-12-9-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13,18H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyQYYRXXUIJJHIMF-INIZCTEOSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide
CID 119293937
2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
CID 120667657
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide
CID 124830596
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
N-[6-(2-phenylethoxy)hexyl]acetamide
CID 67657412
(2S)-2-amino-4-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 103832792

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide (CID 119739711) is (2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide is CC(C)C[C@H](N)C(=O)NCCCOCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide?
The InChIKey is QYYRXXUIJJHIMF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)13-16(18)17(20)19-10-6-11-21-12-9-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13,18H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide?
(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide is sourced from PubChem (CID 119739711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).