(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide

C14H22N2O2 — CID 102905806

IUPAC(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
SMILESCOCCc1ccccc1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)13(15)14(17)16-12-7-5-4-6-11(12)8-9-18-3/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyIRDMJOZPFGNYNC-CYBMUJFWSA-N
MW250.34 g/mol
LogP1.80
Rot. Bonds6

About (2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide

(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide (PubChem CID 102905806) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
PubChem CID102905806
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
SMILESCOCCc1ccccc1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)13(15)14(17)16-12-7-5-4-6-11(12)8-9-18-3/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyIRDMJOZPFGNYNC-CYBMUJFWSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
2-amino-N-[2-(2-methoxyethyl)phenyl]-2-thiophen-2-ylacetamide
CID 102905627
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
CID 102905725
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate
CID 102905002
2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 102907053
(2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide
CID 82963336
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide
CID 102903270
(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide
CID 112746849
5-amino-N-[2-(2-methoxyethyl)phenyl]pyrazine-2-carboxamide
CID 107377211

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide (CID 102905806) is (2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide is COCCc1ccccc1NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide?
The InChIKey is IRDMJOZPFGNYNC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(15)14(17)16-12-7-5-4-6-11(12)8-9-18-3/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide?
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 102905806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).