methyl 7-[(4-acetylbenzoyl)amino]heptanoate

C17H23NO4 — CID 163207825

IUPACmethyl 7-[(4-acetylbenzoyl)amino]heptanoate
SMILESCOC(=O)CCCCCCNC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C17H23NO4/c1-13(19)14-8-10-15(11-9-14)17(21)18-12-6-4-3-5-7-16(20)22-2/h8-11H,3-7,12H2,1-2H3,(H,18,21)
InChIKeyIUHDRDZRDGLTTC-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.74
Rot. Bonds9

About methyl 7-[(4-acetylbenzoyl)amino]heptanoate

methyl 7-[(4-acetylbenzoyl)amino]heptanoate (PubChem CID 163207825) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl 7-[(4-acetylbenzoyl)amino]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(4-acetylbenzoyl)amino]heptanoate
PubChem CID163207825
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl 7-[(4-acetylbenzoyl)amino]heptanoate
SMILESCOC(=O)CCCCCCNC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C17H23NO4/c1-13(19)14-8-10-15(11-9-14)17(21)18-12-6-4-3-5-7-16(20)22-2/h8-11H,3-7,12H2,1-2H3,(H,18,21)
InChIKeyIUHDRDZRDGLTTC-UHFFFAOYSA-N
XLogP2.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-(6-oxoheptyl)benzamide
CID 59029593
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate
CID 25181352
4-acetyl-N-[6-(methylamino)hexyl]benzamide
CID 54472432
methyl 4-benzamidobutanoate
CID 13197711
methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
CID 110488216
methyl 6-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]hexanoate
CID 31841297
methyl 6-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]hexanoate
CID 31840944
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
methyl 6-[(3-bromo-4-chlorobenzoyl)amino]hexanoate
CID 103841612

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(4-acetylbenzoyl)amino]heptanoate?
The IUPAC name of methyl 7-[(4-acetylbenzoyl)amino]heptanoate (CID 163207825) is methyl 7-[(4-acetylbenzoyl)amino]heptanoate.
What is the SMILES notation for methyl 7-[(4-acetylbenzoyl)amino]heptanoate?
The canonical SMILES for methyl 7-[(4-acetylbenzoyl)amino]heptanoate is COC(=O)CCCCCCNC(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of methyl 7-[(4-acetylbenzoyl)amino]heptanoate?
The InChIKey is IUHDRDZRDGLTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13(19)14-8-10-15(11-9-14)17(21)18-12-6-4-3-5-7-16(20)22-2/h8-11H,3-7,12H2,1-2H3,(H,18,21).
What are the key properties of methyl 7-[(4-acetylbenzoyl)amino]heptanoate?
methyl 7-[(4-acetylbenzoyl)amino]heptanoate has a molecular weight of 305.37 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(4-acetylbenzoyl)amino]heptanoate is sourced from PubChem (CID 163207825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).