methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate

C16H23NO4 — CID 31922159

IUPACmethyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate
SMILESCCCCOc1ccc(C(=O)NC(C)(C)C(=O)OC)cc1
InChIInChI=1S/C16H23NO4/c1-5-6-11-21-13-9-7-12(8-10-13)14(18)17-16(2,3)15(19)20-4/h7-10H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyRIYGHZJAVZFKJL-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.55
Rot. Bonds7

About methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate

methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate (PubChem CID 31922159) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate
PubChem CID31922159
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate
SMILESCCCCOc1ccc(C(=O)NC(C)(C)C(=O)OC)cc1
InChIInChI=1S/C16H23NO4/c1-5-6-11-21-13-9-7-12(8-10-13)14(18)17-16(2,3)15(19)20-4/h7-10H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyRIYGHZJAVZFKJL-UHFFFAOYSA-N
XLogP2.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-ethoxybenzoyl)amino]-2-methylpropanoate
CID 31922197
4-butoxy-N-tert-butylbenzamide
CID 60643031
2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid
CID 75383535
N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide
CID 64550930
N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide
CID 114314567
N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide
CID 119524229
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
CID 103933503
4-pentoxybenzohydrazide
CID 2727702
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-heptoxy-N-methylbenzamide
CID 3291691
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethoxy)benzamide
CID 119523172
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate (CID 31922159) is methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate is CCCCOc1ccc(C(=O)NC(C)(C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate?
The InChIKey is RIYGHZJAVZFKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-6-11-21-13-9-7-12(8-10-13)14(18)17-16(2,3)15(19)20-4/h7-10H,5-6,11H2,1-4H3,(H,17,18).
What are the key properties of methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate?
methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate has a molecular weight of 293.36 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 31922159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).