(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide

C16H26N2O2 — CID 103928994

IUPAC(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
SMILESCCOCc1ccccc1CNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-5-20-11-13-9-7-6-8-12(13)10-18-15(19)14(17)16(2,3)4/h6-9,14H,5,10-11,17H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeySEGLUSSMPFFLEA-AWEZNQCLSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds6

About (2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide (PubChem CID 103928994) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
PubChem CID103928994
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
SMILESCCOCc1ccccc1CNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-5-20-11-13-9-7-6-8-12(13)10-18-15(19)14(17)16(2,3)4/h6-9,14H,5,10-11,17H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeySEGLUSSMPFFLEA-AWEZNQCLSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]butanamide
CID 119734224
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
(2S)-2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119718278
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119836094
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119286568
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 81490013
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 55599193
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949732

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide (CID 103928994) is (2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide is CCOCc1ccccc1CNC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide?
The InChIKey is SEGLUSSMPFFLEA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-20-11-13-9-7-6-8-12(13)10-18-15(19)14(17)16(2,3)4/h6-9,14H,5,10-11,17H2,1-4H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.21, 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-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103928994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).