N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide

C15H25N3O2 — CID 61444232

IUPACN-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide
SMILESCCCCN(CCO)CC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C15H25N3O2/c1-3-4-7-18(8-9-19)11-15(20)17-14-6-5-13(16)10-12(14)2/h5-6,10,19H,3-4,7-9,11,16H2,1-2H3,(H,17,20)
InChIKeyFNBNZUSYEOMIPQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.61
Rot. Bonds8

About N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide

N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide (PubChem CID 61444232) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide
PubChem CID61444232
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide
SMILESCCCCN(CCO)CC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C15H25N3O2/c1-3-4-7-18(8-9-19)11-15(20)17-14-6-5-13(16)10-12(14)2/h5-6,10,19H,3-4,7-9,11,16H2,1-2H3,(H,17,20)
InChIKeyFNBNZUSYEOMIPQ-UHFFFAOYSA-N
XLogP1.61
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]-N-(2-methylphenyl)acetamide
CID 60688995
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
2-[butyl(2-hydroxyethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 60689165
2-[butyl(2-hydroxyethyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 60689148
2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 55437048
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
N-(4-amino-2-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]acetamide
CID 43588199
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 31994430
2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide
CID 60689127

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide (CID 61444232) is N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide is CCCCN(CCO)CC(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is FNBNZUSYEOMIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-4-7-18(8-9-19)11-15(20)17-14-6-5-13(16)10-12(14)2/h5-6,10,19H,3-4,7-9,11,16H2,1-2H3,(H,17,20).
What are the key properties of N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide?
N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 61444232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).