N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide

C20H25N3O4 — CID 75397296

IUPACN-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N(C)C)cc2C(N)=O)cc1OCC
InChIInChI=1S/C20H25N3O4/c1-5-26-17-10-7-13(11-18(17)27-6-2)20(25)22-16-9-8-14(23(3)4)12-15(16)19(21)24/h7-12H,5-6H2,1-4H3,(H2,21,24)(H,22,25)
InChIKeyHWPRDGGOTXHMDC-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.90
Rot. Bonds8

About N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide

N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide (PubChem CID 75397296) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide
PubChem CID75397296
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N(C)C)cc2C(N)=O)cc1OCC
InChIInChI=1S/C20H25N3O4/c1-5-26-17-10-7-13(11-18(17)27-6-2)20(25)22-16-9-8-14(23(3)4)12-15(16)19(21)24/h7-12H,5-6H2,1-4H3,(H2,21,24)(H,22,25)
InChIKeyHWPRDGGOTXHMDC-UHFFFAOYSA-N
XLogP2.90
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-carbamoylphenyl)-4-ethoxy-3-methylbenzamide
CID 95970601
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
4-[(3,4-diethoxybenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412187
3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 26864885
4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412447
3-[(3,4-diethoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16776584
N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide
CID 55337128
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3,4-diethoxybenzamide
CID 7495926
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636

Frequently Asked Questions

What is the IUPAC name of N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide (CID 75397296) is N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(N(C)C)cc2C(N)=O)cc1OCC.
What is the InChIKey of N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide?
The InChIKey is HWPRDGGOTXHMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-5-26-17-10-7-13(11-18(17)27-6-2)20(25)22-16-9-8-14(23(3)4)12-15(16)19(21)24/h7-12H,5-6H2,1-4H3,(H2,21,24)(H,22,25).
What are the key properties of N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide?
N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide has a molecular weight of 371.44 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-carbamoyl-4-(dimethylamino)phenyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 75397296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).