N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide

C16H26N2O3 — CID 43274979

IUPACN-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
SMILESCCCCCOCCCC(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C16H26N2O3/c1-3-4-5-10-21-11-6-7-16(19)18-15-9-8-13(20-2)12-14(15)17/h8-9,12H,3-7,10-11,17H2,1-2H3,(H,18,19)
InChIKeyRGEZCLFSNHRLGC-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.20
Rot. Bonds10

About N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide

N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide (PubChem CID 43274979) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
PubChem CID43274979
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
SMILESCCCCCOCCCC(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C16H26N2O3/c1-3-4-5-10-21-11-6-7-16(19)18-15-9-8-13(20-2)12-14(15)17/h8-9,12H,3-7,10-11,17H2,1-2H3,(H,18,19)
InChIKeyRGEZCLFSNHRLGC-UHFFFAOYSA-N
XLogP3.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
CID 107753587
N-(2-amino-4-methoxyphenyl)-3-butylsulfonylpropanamide
CID 43615944
N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66232216
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide
CID 18071109
N-(2-amino-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
CID 66114270
N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide
CID 28995195
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107770402
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide (CID 43274979) is N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide is CCCCCOCCCC(=O)Nc1ccc(OC)cc1N.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide?
The InChIKey is RGEZCLFSNHRLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-4-5-10-21-11-6-7-16(19)18-15-9-8-13(20-2)12-14(15)17/h8-9,12H,3-7,10-11,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide?
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide has a molecular weight of 294.39 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide is sourced from PubChem (CID 43274979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).