2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide

C15H24N2O3 — CID 106011307

IUPAC2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
SMILESCOc1ccc(C(=O)NCCCCOC(C)C)c(N)c1
InChIInChI=1S/C15H24N2O3/c1-11(2)20-9-5-4-8-17-15(18)13-7-6-12(19-3)10-14(13)16/h6-7,10-11H,4-5,8-9,16H2,1-3H3,(H,17,18)
InChIKeyTYISDQDFMWHNMC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.21
Rot. Bonds8

About 2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide

2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide (PubChem CID 106011307) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
PubChem CID106011307
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
SMILESCOc1ccc(C(=O)NCCCCOC(C)C)c(N)c1
InChIInChI=1S/C15H24N2O3/c1-11(2)20-9-5-4-8-17-15(18)13-7-6-12(19-3)10-14(13)16/h6-7,10-11H,4-5,8-9,16H2,1-3H3,(H,17,18)
InChIKeyTYISDQDFMWHNMC-UHFFFAOYSA-N
XLogP2.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.21
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

2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
CID 106235860
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 115413099
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide
CID 113475265
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide
CID 113305193
2-amino-4-methoxy-N-pent-3-ynylbenzamide
CID 116644060
methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107222746

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide?
The IUPAC name of 2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide (CID 106011307) is 2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide is COc1ccc(C(=O)NCCCCOC(C)C)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide?
The InChIKey is TYISDQDFMWHNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)20-9-5-4-8-17-15(18)13-7-6-12(19-3)10-14(13)16/h6-7,10-11H,4-5,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide?
2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide has a molecular weight of 280.37 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide is sourced from PubChem (CID 106011307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).