(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide

C18H24N2O2 — CID 119738781

IUPAC(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C18H24N2O2/c1-13(2)12-16(19)18(21)20-10-11-22-17-9-5-7-14-6-3-4-8-15(14)17/h3-9,13,16H,10-12,19H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyKHDJJLDZTUWAIK-INIZCTEOSA-N
MW300.40 g/mol
LogP2.71
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide

(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide (PubChem CID 119738781) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide
PubChem CID119738781
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C18H24N2O2/c1-13(2)12-16(19)18(21)20-10-11-22-17-9-5-7-14-6-3-4-8-15(14)17/h3-9,13,16H,10-12,19H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyKHDJJLDZTUWAIK-INIZCTEOSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.71
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-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide
CID 110482461
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
2-(2-methylphenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220515
3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide
CID 60544727
2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220502
2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220464
(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 119772916
(2S)-2-amino-4-naphthalen-1-yloxybutanamide
CID 174561854
2-amino-4-naphthalen-1-yloxybutanamide
CID 63040100
(2R)-N-(2-naphthalen-1-yloxyethyl)-2,3-diphenylpropanamide
CID 27154473
butyl N-(2-naphthalen-1-yloxyethyl)carbamate
CID 19174706
2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 2063074

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide (CID 119738781) is (2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide is CC(C)C[C@H](N)C(=O)NCCOc1cccc2ccccc12.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide?
The InChIKey is KHDJJLDZTUWAIK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)12-16(19)18(21)20-10-11-22-17-9-5-7-14-6-3-4-8-15(14)17/h3-9,13,16H,10-12,19H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide?
(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide has a molecular weight of 300.40 g/mol, XLogP of 2.71, 7 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-(2-naphthalen-1-yloxyethyl)pentanamide is sourced from PubChem (CID 119738781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).