3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide

C21H26N2O4 — CID 17219011

IUPAC3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C21H26N2O4/c1-3-4-13-27-19-10-8-16(9-11-19)21(25)23-18-7-5-6-17(15-18)20(24)22-12-14-26-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPPBWMEVNUIHGHJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.49
Rot. Bonds10

About 3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide

3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide (PubChem CID 17219011) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
PubChem CID17219011
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C21H26N2O4/c1-3-4-13-27-19-10-8-16(9-11-19)21(25)23-18-7-5-6-17(15-18)20(24)22-12-14-26-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPPBWMEVNUIHGHJ-UHFFFAOYSA-N
XLogP3.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.49
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

3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17222708
N-butyl-3-[(4-heptoxybenzoyl)amino]benzamide
CID 17196990
3-[(4-ethoxybenzoyl)amino]-N-(3-methoxypropyl)benzamide
CID 26160199
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
N-(2-methoxyethyl)-4-[(4-pentoxybenzoyl)amino]benzamide
CID 17218273
N-(2-methoxyethyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 17218276
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-butyl-3-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 17197253
N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide
CID 28638882
3-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17219341
3-(hexanoylamino)-N-(2-methoxyethyl)benzamide
CID 17219031
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836079

Frequently Asked Questions

What is the IUPAC name of 3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide (CID 17219011) is 3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide is CCCCOc1ccc(C(=O)Nc2cccc(C(=O)NCCOC)c2)cc1.
What is the InChIKey of 3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is PPBWMEVNUIHGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-4-13-27-19-10-8-16(9-11-19)21(25)23-18-7-5-6-17(15-18)20(24)22-12-14-26-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide?
3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 17219011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).