5-formyl-2-methoxy-N,N-dipentylbenzamide

C19H29NO3 — CID 22716819

IUPAC5-formyl-2-methoxy-N,N-dipentylbenzamide
SMILESCCCCCN(CCCCC)C(=O)c1cc(C=O)ccc1OC
InChIInChI=1S/C19H29NO3/c1-4-6-8-12-20(13-9-7-5-2)19(22)17-14-16(15-21)10-11-18(17)23-3/h10-11,14-15H,4-9,12-13H2,1-3H3
InChIKeyXSOMVWJDTCGXDN-UHFFFAOYSA-N
MW319.44 g/mol
LogP4.33
Rot. Bonds11

About 5-formyl-2-methoxy-N,N-dipentylbenzamide

5-formyl-2-methoxy-N,N-dipentylbenzamide (PubChem CID 22716819) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 5-formyl-2-methoxy-N,N-dipentylbenzamide.

Molecular Properties

Compound Name5-formyl-2-methoxy-N,N-dipentylbenzamide
PubChem CID22716819
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name5-formyl-2-methoxy-N,N-dipentylbenzamide
SMILESCCCCCN(CCCCC)C(=O)c1cc(C=O)ccc1OC
InChIInChI=1S/C19H29NO3/c1-4-6-8-12-20(13-9-7-5-2)19(22)17-14-16(15-21)10-11-18(17)23-3/h10-11,14-15H,4-9,12-13H2,1-3H3
InChIKeyXSOMVWJDTCGXDN-UHFFFAOYSA-N
XLogP4.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N,N-dioctylbenzamide
CID 139819875
4-formyl-N-hexyl-N-pentylbenzamide
CID 59994993
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
3-(dipropylcarbamoyl)-4-methoxybenzoic acid
CID 129054402
5-amino-2-methoxy-N-methyl-N-pentylbenzamide
CID 61093600
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
2-methyl-N,N-dipentylbenzamide
CID 4576290
N-(3-aminopropyl)-2,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 63287508
(4-formyl-2-methoxyphenyl) (9Z,12Z)-octadeca-9,12-dienoate
CID 24858917
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 61026260

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-methoxy-N,N-dipentylbenzamide?
The IUPAC name of 5-formyl-2-methoxy-N,N-dipentylbenzamide (CID 22716819) is 5-formyl-2-methoxy-N,N-dipentylbenzamide.
What is the SMILES notation for 5-formyl-2-methoxy-N,N-dipentylbenzamide?
The canonical SMILES for 5-formyl-2-methoxy-N,N-dipentylbenzamide is CCCCCN(CCCCC)C(=O)c1cc(C=O)ccc1OC.
What is the InChIKey of 5-formyl-2-methoxy-N,N-dipentylbenzamide?
The InChIKey is XSOMVWJDTCGXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-6-8-12-20(13-9-7-5-2)19(22)17-14-16(15-21)10-11-18(17)23-3/h10-11,14-15H,4-9,12-13H2,1-3H3.
What are the key properties of 5-formyl-2-methoxy-N,N-dipentylbenzamide?
5-formyl-2-methoxy-N,N-dipentylbenzamide has a molecular weight of 319.44 g/mol, XLogP of 4.33, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-methoxy-N,N-dipentylbenzamide is sourced from PubChem (CID 22716819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).