4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

C23H28N2O3 — CID 4935150

IUPAC4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-2-3-8-17-28-19-13-11-18(12-14-19)22(26)24-21-10-5-4-9-20(21)23(27)25-15-6-7-16-25/h4-5,9-14H,2-3,6-8,15-17H2,1H3,(H,24,26)
InChIKeyQDRHTGGZKWXFRZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.74
Rot. Bonds8

About 4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 4935150) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID4935150
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-2-3-8-17-28-19-13-11-18(12-14-19)22(26)24-21-10-5-4-9-20(21)23(27)25-15-6-7-16-25/h4-5,9-14H,2-3,6-8,15-17H2,1H3,(H,24,26)
InChIKeyQDRHTGGZKWXFRZ-UHFFFAOYSA-N
XLogP4.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-4-pentoxybenzamide
CID 4935215
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
4-[(2-chlorophenyl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 19916445
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953102
4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168496
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 4935150) is 4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is CCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1.
What is the InChIKey of 4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is QDRHTGGZKWXFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-3-8-17-28-19-13-11-18(12-14-19)22(26)24-21-10-5-4-9-20(21)23(27)25-15-6-7-16-25/h4-5,9-14H,2-3,6-8,15-17H2,1H3,(H,24,26).
What are the key properties of 4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 4935150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).