N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide

C19H24N2O2 — CID 120569249

IUPACN-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCOCCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-15-9-10-17(20)14-18(15)21-19(22)8-5-12-23-13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,14H,5,8,11-13,20H2,1H3,(H,21,22)
InChIKeyUPERGYJQXIPQMQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.56
Rot. Bonds8

About N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide

N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide (PubChem CID 120569249) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide
PubChem CID120569249
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCOCCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-15-9-10-17(20)14-18(15)21-19(22)8-5-12-23-13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,14H,5,8,11-13,20H2,1H3,(H,21,22)
InChIKeyUPERGYJQXIPQMQ-UHFFFAOYSA-N
XLogP3.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
N-(5-amino-2-methylphenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82961312
N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 16793907
N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide
CID 54943854
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide
CID 52668967
N-(5-amino-2-methylphenyl)-4-(2-methoxyethylsulfonyl)butanamide
CID 43446193
N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide
CID 43376858
N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide
CID 28995698
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide (CID 120569249) is N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide is Cc1ccc(N)cc1NC(=O)CCCOCCc1ccccc1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide?
The InChIKey is UPERGYJQXIPQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-9-10-17(20)14-18(15)21-19(22)8-5-12-23-13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,14H,5,8,11-13,20H2,1H3,(H,21,22).
What are the key properties of N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide?
N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide has a molecular weight of 312.41 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide is sourced from PubChem (CID 120569249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).