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

C16H27N3O2 — CID 103831964

IUPAC(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-4-5-9-15(17)16(20)18-13-7-6-8-14(12-13)21-11-10-19(2)3/h6-8,12,15H,4-5,9-11,17H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyTWMDNURJFOXFDJ-HNNXBMFYSA-N
MW293.41 g/mol
LogP2.08
Rot. Bonds9

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

(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide (PubChem CID 103831964) 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]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
PubChem CID103831964
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-4-5-9-15(17)16(20)18-13-7-6-8-14(12-13)21-11-10-19(2)3/h6-8,12,15H,4-5,9-11,17H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyTWMDNURJFOXFDJ-HNNXBMFYSA-N
XLogP2.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide
CID 60927656
3-amino-4-[3-[2-(dimethylamino)ethoxy]anilino]-4-oxobutanoic acid
CID 64897056
(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide
CID 103831187
2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
CID 81082999
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 61180242
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
3-amino-4-oxo-4-(3-propoxyanilino)butanoic acid
CID 64894519
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 81071451
4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid
CID 64890275

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide (CID 103831964) is (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide is CCCC[C@H](N)C(=O)Nc1cccc(OCCN(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide?
The InChIKey is TWMDNURJFOXFDJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-5-9-15(17)16(20)18-13-7-6-8-14(12-13)21-11-10-19(2)3/h6-8,12,15H,4-5,9-11,17H2,1-3H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide?
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide has a molecular weight of 293.41 g/mol, XLogP of 2.08, 9 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]hexanamide is sourced from PubChem (CID 103831964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).