(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide

C16H27N3O2 — CID 61180242

IUPAC(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
SMILESCN(C)CCOc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)14(17)15(20)18-12-7-6-8-13(11-12)21-10-9-19(4)5/h6-8,11,14H,9-10,17H2,1-5H3,(H,18,20)/t14-/m1/s1
InChIKeyIEERQEGEFLGEPB-CQSZACIVSA-N
MW293.41 g/mol
LogP1.94
Rot. Bonds6

About (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide (PubChem CID 61180242) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
PubChem CID61180242
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
SMILESCN(C)CCOc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)14(17)15(20)18-12-7-6-8-13(11-12)21-10-9-19(4)5/h6-8,11,14H,9-10,17H2,1-5H3,(H,18,20)/t14-/m1/s1
InChIKeyIEERQEGEFLGEPB-CQSZACIVSA-N
XLogP1.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[3-[2-(dimethylamino)ethoxy]anilino]-4-oxobutanoic acid
CID 64897056
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 76887829
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
CID 103831964
(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119723901
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate
CID 65173309
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
CID 119713860
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide
CID 81070538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide (CID 61180242) is (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide is CN(C)CCOc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide?
The InChIKey is IEERQEGEFLGEPB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,3)14(17)15(20)18-12-7-6-8-13(11-12)21-10-9-19(4)5/h6-8,11,14H,9-10,17H2,1-5H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide has a molecular weight of 293.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 61180242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).