3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide

C15H25N3O2 — CID 115426342

IUPAC3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide
SMILESCCN(CCO)c1ccc(NC(=O)C(C)(C)CN)cc1
InChIInChI=1S/C15H25N3O2/c1-4-18(9-10-19)13-7-5-12(6-8-13)17-14(20)15(2,3)11-16/h5-8,19H,4,9-11,16H2,1-3H3,(H,17,20)
InChIKeyIXVOFVYOZIUFSL-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.43
Rot. Bonds7

About 3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide

3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 115426342) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide
PubChem CID115426342
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide
SMILESCCN(CCO)c1ccc(NC(=O)C(C)(C)CN)cc1
InChIInChI=1S/C15H25N3O2/c1-4-18(9-10-19)13-7-5-12(6-8-13)17-14(20)15(2,3)11-16/h5-8,19H,4,9-11,16H2,1-3H3,(H,17,20)
InChIKeyIXVOFVYOZIUFSL-UHFFFAOYSA-N
XLogP1.43
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.43
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-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945791
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042
3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119705445
3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide
CID 65265051
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119670707
2-[4-[ethyl(2-hydroxyethyl)amino]anilino]propanoic acid
CID 66174751
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 62834910
2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 60945538
5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide
CID 106685549
(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 107144336

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide (CID 115426342) is 3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide is CCN(CCO)c1ccc(NC(=O)C(C)(C)CN)cc1.
What is the InChIKey of 3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is IXVOFVYOZIUFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-18(9-10-19)13-7-5-12(6-8-13)17-14(20)15(2,3)11-16/h5-8,19H,4,9-11,16H2,1-3H3,(H,17,20).
What are the key properties of 3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide?
3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 115426342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).