N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide

C25H35N3O3 — CID 55527244

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1cccc(OC)c1
InChIInChI=1S/C25H35N3O3/c1-7-28(8-2)22(18-11-10-14-21(16-18)31-6)17-26-23(29)19-12-9-13-20(15-19)27-24(30)25(3,4)5/h9-16,22H,7-8,17H2,1-6H3,(H,26,29)(H,27,30)
InChIKeyFTICIMRXZLMDJW-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.49
Rot. Bonds9

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 55527244) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID55527244
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1cccc(OC)c1
InChIInChI=1S/C25H35N3O3/c1-7-28(8-2)22(18-11-10-14-21(16-18)31-6)17-26-23(29)19-12-9-13-20(15-19)27-24(30)25(3,4)5/h9-16,22H,7-8,17H2,1-6H3,(H,26,29)(H,27,30)
InChIKeyFTICIMRXZLMDJW-UHFFFAOYSA-N
XLogP4.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764
3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 134057132
N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 30546325
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
4-chloro-N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(diethylsulfamoyl)benzamide
CID 25496834
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46692231
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46538069
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 43054752

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide (CID 55527244) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide is CCN(CC)C(CNC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is FTICIMRXZLMDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-7-28(8-2)22(18-11-10-14-21(16-18)31-6)17-26-23(29)19-12-9-13-20(15-19)27-24(30)25(3,4)5/h9-16,22H,7-8,17H2,1-6H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 425.57 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 55527244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).