N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide

C21H28N2O3 — CID 86938312

IUPACN-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OCCCN(C)C)cc2)cc1C
InChIInChI=1S/C21H28N2O3/c1-5-25-20-12-7-17(15-16(20)2)21(24)22-18-8-10-19(11-9-18)26-14-6-13-23(3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,22,24)
InChIKeyFLQKGXHAJVACAM-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.98
Rot. Bonds9

About N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide

N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide (PubChem CID 86938312) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide
PubChem CID86938312
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OCCCN(C)C)cc2)cc1C
InChIInChI=1S/C21H28N2O3/c1-5-25-20-12-7-17(15-16(20)2)21(24)22-18-8-10-19(11-9-18)26-14-6-13-23(3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,22,24)
InChIKeyFLQKGXHAJVACAM-UHFFFAOYSA-N
XLogP3.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
CID 86898203
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199
4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
CID 30147613
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 86898701
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109084095
4-[3-(dimethylamino)propoxy]-3-methylbenzoic acid
CID 62702605
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
4-(difluoromethylsulfonyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898286
N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 86938466

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide?
The IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide (CID 86938312) is N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide is CCOc1ccc(C(=O)Nc2ccc(OCCCN(C)C)cc2)cc1C.
What is the InChIKey of N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide?
The InChIKey is FLQKGXHAJVACAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-5-25-20-12-7-17(15-16(20)2)21(24)22-18-8-10-19(11-9-18)26-14-6-13-23(3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,22,24).
What are the key properties of N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide?
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide has a molecular weight of 356.47 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide is sourced from PubChem (CID 86938312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).