N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide

C14H23N3O2 — CID 54879460

IUPACN-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCN(C)CCO
InChIInChI=1S/C14H23N3O2/c1-11-5-6-12(15)10-13(11)16-14(19)4-3-7-17(2)8-9-18/h5-6,10,18H,3-4,7-9,15H2,1-2H3,(H,16,19)
InChIKeyCUGFGVQEDRTSHX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.22
Rot. Bonds7

About N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide

N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide (PubChem CID 54879460) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
PubChem CID54879460
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCN(C)CCO
InChIInChI=1S/C14H23N3O2/c1-11-5-6-12(15)10-13(11)16-14(19)4-3-7-17(2)8-9-18/h5-6,10,18H,3-4,7-9,15H2,1-2H3,(H,16,19)
InChIKeyCUGFGVQEDRTSHX-UHFFFAOYSA-N
XLogP1.22
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.22
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

N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
N-(5-amino-2-methylphenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985413
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
CID 43294488
N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(5-amino-2-methylphenyl)-3-(3-hydroxypropylsulfanyl)propanamide
CID 66114935

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide (CID 54879460) is N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide is Cc1ccc(N)cc1NC(=O)CCCN(C)CCO.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide?
The InChIKey is CUGFGVQEDRTSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-5-6-12(15)10-13(11)16-14(19)4-3-7-17(2)8-9-18/h5-6,10,18H,3-4,7-9,15H2,1-2H3,(H,16,19).
What are the key properties of N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide?
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide has a molecular weight of 265.36 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide is sourced from PubChem (CID 54879460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).