N-(4-amino-2-methylphenyl)-2-heptoxypropanamide

C17H28N2O2 — CID 43127072

IUPACN-(4-amino-2-methylphenyl)-2-heptoxypropanamide
SMILESCCCCCCCOC(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C17H28N2O2/c1-4-5-6-7-8-11-21-14(3)17(20)19-16-10-9-15(18)12-13(16)2/h9-10,12,14H,4-8,11,18H2,1-3H3,(H,19,20)
InChIKeySQNSLZNTZRRXNV-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.89
Rot. Bonds9

About N-(4-amino-2-methylphenyl)-2-heptoxypropanamide

N-(4-amino-2-methylphenyl)-2-heptoxypropanamide (PubChem CID 43127072) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-heptoxypropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-heptoxypropanamide
PubChem CID43127072
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(4-amino-2-methylphenyl)-2-heptoxypropanamide
SMILESCCCCCCCOC(C)C(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C17H28N2O2/c1-4-5-6-7-8-11-21-14(3)17(20)19-16-10-9-15(18)12-13(16)2/h9-10,12,14H,4-8,11,18H2,1-3H3,(H,19,20)
InChIKeySQNSLZNTZRRXNV-UHFFFAOYSA-N
XLogP3.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.89
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-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(4-amino-2-methylphenyl)-3-hexoxypropanamide
CID 43127219
N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127117
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
1-(4-amino-2-methylphenyl)-3-butylurea
CID 28785624
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 16786831
N-(4-amino-2-methylphenyl)-2-(dipropylamino)propanamide
CID 16779619
N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686885
N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751582
N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560223

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-heptoxypropanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-heptoxypropanamide (CID 43127072) is N-(4-amino-2-methylphenyl)-2-heptoxypropanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-heptoxypropanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-heptoxypropanamide is CCCCCCCOC(C)C(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-heptoxypropanamide?
The InChIKey is SQNSLZNTZRRXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-6-7-8-11-21-14(3)17(20)19-16-10-9-15(18)12-13(16)2/h9-10,12,14H,4-8,11,18H2,1-3H3,(H,19,20).
What are the key properties of N-(4-amino-2-methylphenyl)-2-heptoxypropanamide?
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide has a molecular weight of 292.42 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-heptoxypropanamide is sourced from PubChem (CID 43127072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).