(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide

C16H27N3O2 — CID 107144336

IUPAC(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C16H27N3O2/c1-3-5-6-15(17)16(21)18-13-7-9-14(10-8-13)19(4-2)11-12-20/h7-10,15,20H,3-6,11-12,17H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyBFIZZQFIRIOFHV-HNNXBMFYSA-N
MW293.41 g/mol
LogP1.96
Rot. Bonds9

About (2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide

(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide (PubChem CID 107144336) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
PubChem CID107144336
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C16H27N3O2/c1-3-5-6-15(17)16(21)18-13-7-9-14(10-8-13)19(4-2)11-12-20/h7-10,15,20H,3-6,11-12,17H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyBFIZZQFIRIOFHV-HNNXBMFYSA-N
XLogP1.96
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 60945538
(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
CID 94728896
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol
CID 63945933
2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol
CID 54866191
methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481
(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide
CID 107143973
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
ethyl 4-[[(2S)-2-aminohexanoyl]amino]benzoate
CID 103830868
(2R)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45254608
2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45483181
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide (CID 107144336) is (2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide is CCCC[C@H](N)C(=O)Nc1ccc(N(CC)CCO)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide?
The InChIKey is BFIZZQFIRIOFHV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-5-6-15(17)16(21)18-13-7-9-14(10-8-13)19(4-2)11-12-20/h7-10,15,20H,3-6,11-12,17H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide?
(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide has a molecular weight of 293.41 g/mol, XLogP of 1.96, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide is sourced from PubChem (CID 107144336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).