2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide

C22H29N3O3 — CID 54828856

IUPAC2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide
SMILESCCCCCCCOc1cccc(NCC(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C22H29N3O3/c1-2-3-4-5-8-14-28-18-11-9-10-17(15-18)24-16-21(26)25-20-13-7-6-12-19(20)22(23)27/h6-7,9-13,15,24H,2-5,8,14,16H2,1H3,(H2,23,27)(H,25,26)
InChIKeySALDDKLAMJPNGS-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.19
Rot. Bonds12

About 2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide

2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide (PubChem CID 54828856) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide
PubChem CID54828856
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide
SMILESCCCCCCCOc1cccc(NCC(=O)Nc2ccccc2C(N)=O)c1
InChIInChI=1S/C22H29N3O3/c1-2-3-4-5-8-14-28-18-11-9-10-17(15-18)24-16-21(26)25-20-13-7-6-12-19(20)22(23)27/h6-7,9-13,15,24H,2-5,8,14,16H2,1H3,(H2,23,27)(H,25,26)
InChIKeySALDDKLAMJPNGS-UHFFFAOYSA-N
XLogP4.19
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54823573
2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54823386
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809079
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-ethyl-2-(3-heptoxyanilino)acetamide
CID 54829186
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide (CID 54828856) is 2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide is CCCCCCCOc1cccc(NCC(=O)Nc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide?
The InChIKey is SALDDKLAMJPNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-2-3-4-5-8-14-28-18-11-9-10-17(15-18)24-16-21(26)25-20-13-7-6-12-19(20)22(23)27/h6-7,9-13,15,24H,2-5,8,14,16H2,1H3,(H2,23,27)(H,25,26).
What are the key properties of 2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide?
2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide has a molecular weight of 383.49 g/mol, XLogP of 4.19, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54828856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).