N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide

C16H26N2O3 — CID 119628351

IUPACN-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(C)(C)N)cc1OC
InChIInChI=1S/C16H26N2O3/c1-5-6-9-21-13-8-7-12(10-14(13)20-4)15(19)18-11-16(2,3)17/h7-8,10H,5-6,9,11,17H2,1-4H3,(H,18,19)
InChIKeyQWEWAIPIOURLDV-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.34
Rot. Bonds8

About N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide

N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide (PubChem CID 119628351) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
PubChem CID119628351
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(C)(C)N)cc1OC
InChIInChI=1S/C16H26N2O3/c1-5-6-9-21-13-8-7-12(10-14(13)20-4)15(19)18-11-16(2,3)17/h7-8,10H,5-6,9,11,17H2,1-4H3,(H,18,19)
InChIKeyQWEWAIPIOURLDV-UHFFFAOYSA-N
XLogP2.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
CID 9295314
N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
CID 4880220
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
4-butoxy-3-methoxybenzamide
CID 47102628
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide (CID 119628351) is N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide is CCCCOc1ccc(C(=O)NCC(C)(C)N)cc1OC.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide?
The InChIKey is QWEWAIPIOURLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-6-9-21-13-8-7-12(10-14(13)20-4)15(19)18-11-16(2,3)17/h7-8,10H,5-6,9,11,17H2,1-4H3,(H,18,19).
What are the key properties of N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide?
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide has a molecular weight of 294.39 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide is sourced from PubChem (CID 119628351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).