N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide

C21H26N2O4 — CID 17205121

IUPACN-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(C(=O)NCCCOC)cc2)c1
InChIInChI=1S/C21H26N2O4/c1-3-13-27-19-7-4-6-17(15-19)21(25)23-18-10-8-16(9-11-18)20(24)22-12-5-14-26-2/h4,6-11,15H,3,5,12-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWBCJZGUTNLYQMR-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.49
Rot. Bonds10

About N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide

N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide (PubChem CID 17205121) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
PubChem CID17205121
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(C(=O)NCCCOC)cc2)c1
InChIInChI=1S/C21H26N2O4/c1-3-13-27-19-7-4-6-17(15-19)21(25)23-18-10-8-16(9-11-18)20(24)22-12-5-14-26-2/h4,6-11,15H,3,5,12-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWBCJZGUTNLYQMR-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-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052772
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218835
3-[(4-ethoxybenzoyl)amino]-N-(3-methoxypropyl)benzamide
CID 26160199
N-(2-methoxyethyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 17218276
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide?
The IUPAC name of N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide (CID 17205121) is N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide?
The canonical SMILES for N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(C(=O)NCCCOC)cc2)c1.
What is the InChIKey of N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide?
The InChIKey is WBCJZGUTNLYQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-13-27-19-7-4-6-17(15-19)21(25)23-18-10-8-16(9-11-18)20(24)22-12-5-14-26-2/h4,6-11,15H,3,5,12-14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide?
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide 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 N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide is sourced from PubChem (CID 17205121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).