4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide

C22H28N2O3 — CID 86898305

IUPAC4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-24(2)14-3-15-26-20-12-8-19(9-13-20)23-22(25)18-6-10-21(11-7-18)27-16-17-4-5-17/h6-13,17H,3-5,14-16H2,1-2H3,(H,23,25)
InChIKeyJIGUDEGDLXLBKG-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.06
Rot. Bonds10

About 4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide

4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide (PubChem CID 86898305) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
PubChem CID86898305
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-24(2)14-3-15-26-20-12-8-19(9-13-20)23-22(25)18-6-10-21(11-7-18)27-16-17-4-5-17/h6-13,17H,3-5,14-16H2,1-2H3,(H,23,25)
InChIKeyJIGUDEGDLXLBKG-UHFFFAOYSA-N
XLogP4.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.06
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

N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
4-(cyclopropylmethoxy)-N-[4-(dimethylamino)-3-methylphenyl]benzamide
CID 60571631
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide
CID 86938312
4-(difluoromethylsulfonyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898286
3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
CID 86898203
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 75371278
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119185306
4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide
CID 58111737
4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867737

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide (CID 86898305) is 4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide is CN(C)CCCOc1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide?
The InChIKey is JIGUDEGDLXLBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-24(2)14-3-15-26-20-12-8-19(9-13-20)23-22(25)18-6-10-21(11-7-18)27-16-17-4-5-17/h6-13,17H,3-5,14-16H2,1-2H3,(H,23,25).
What are the key properties of 4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide?
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide is sourced from PubChem (CID 86898305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).