(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide

C15H25N3O2 — CID 79013043

IUPAC(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-11(2)14(16)15(19)17-12-5-7-13(8-6-12)20-10-9-18(3)4/h5-8,11,14H,9-10,16H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyKZRIOVFJXSOTCL-CQSZACIVSA-N
MW279.38 g/mol
LogP1.55
Rot. Bonds7

About (2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide

(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide (PubChem CID 79013043) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
PubChem CID79013043
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-11(2)14(16)15(19)17-12-5-7-13(8-6-12)20-10-9-18(3)4/h5-8,11,14H,9-10,16H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyKZRIOVFJXSOTCL-CQSZACIVSA-N
XLogP1.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride
CID 119844261
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196203
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide
CID 87006843
methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate
CID 79011577
2-amino-3-methyl-N-(4-prop-2-enoxyphenyl)butanamide
CID 112501590
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylpropanamide
CID 119844203
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119280468

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide (CID 79013043) is (2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide is CC(C)[C@@H](N)C(=O)Nc1ccc(OCCN(C)C)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide?
The InChIKey is KZRIOVFJXSOTCL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)14(16)15(19)17-12-5-7-13(8-6-12)20-10-9-18(3)4/h5-8,11,14H,9-10,16H2,1-4H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide?
(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide has a molecular weight of 279.38 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide is sourced from PubChem (CID 79013043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).