3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide

C19H24N2O4 — CID 54008816

IUPAC3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2)cc1N(CCO)CCO
InChIInChI=1S/C19H24N2O4/c1-2-25-18-9-8-15(14-17(18)21(10-12-22)11-13-23)19(24)20-16-6-4-3-5-7-16/h3-9,14,22-23H,2,10-13H2,1H3,(H,20,24)
InChIKeyKQVHRLPBDZUIHT-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.13
Rot. Bonds9

About 3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide

3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide (PubChem CID 54008816) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide
PubChem CID54008816
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2)cc1N(CCO)CCO
InChIInChI=1S/C19H24N2O4/c1-2-25-18-9-8-15(14-17(18)21(10-12-22)11-13-23)19(24)20-16-6-4-3-5-7-16/h3-9,14,22-23H,2,10-13H2,1H3,(H,20,24)
InChIKeyKQVHRLPBDZUIHT-UHFFFAOYSA-N
XLogP2.13
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
3-[bis(2-hydroxyethyl)amino]-N-phenylbenzamide
CID 54334365
4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
CID 30147613
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide (CID 54008816) is 3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide is CCOc1ccc(C(=O)Nc2ccccc2)cc1N(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide?
The InChIKey is KQVHRLPBDZUIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-25-18-9-8-15(14-17(18)21(10-12-22)11-13-23)19(24)20-16-6-4-3-5-7-16/h3-9,14,22-23H,2,10-13H2,1H3,(H,20,24).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide?
3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide has a molecular weight of 344.41 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-4-ethoxy-N-phenylbenzamide is sourced from PubChem (CID 54008816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).