N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide

C22H29N3O3 — CID 46449017

IUPACN-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide
SMILESCCN(CC)Cc1cccc(NC(=O)CCNC(=O)c2ccccc2OC)c1
InChIInChI=1S/C22H29N3O3/c1-4-25(5-2)16-17-9-8-10-18(15-17)24-21(26)13-14-23-22(27)19-11-6-7-12-20(19)28-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyXWHMIGBUPIHMEB-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.30
Rot. Bonds10

About N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide

N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide (PubChem CID 46449017) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide
PubChem CID46449017
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide
SMILESCCN(CC)Cc1cccc(NC(=O)CCNC(=O)c2ccccc2OC)c1
InChIInChI=1S/C22H29N3O3/c1-4-25(5-2)16-17-9-8-10-18(15-17)24-21(26)13-14-23-22(27)19-11-6-7-12-20(19)28-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyXWHMIGBUPIHMEB-UHFFFAOYSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylaminomethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55602062
N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide
CID 34333863
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 43073865
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide
CID 4843806
4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879
N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 86932094
N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
CID 28918895
6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
CID 43711987
2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide
CID 9300768

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide (CID 46449017) is N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide is CCN(CC)Cc1cccc(NC(=O)CCNC(=O)c2ccccc2OC)c1.
What is the InChIKey of N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is XWHMIGBUPIHMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-25(5-2)16-17-9-8-10-18(15-17)24-21(26)13-14-23-22(27)19-11-6-7-12-20(19)28-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide?
N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 383.49 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 46449017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).