N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide

C28H33N3O4 — CID 91565545

IUPACN-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(N(C(=O)Cc2ccccc2)c2ccc(O)cc2)cc1OC
InChIInChI=1S/C28H33N3O4/c1-4-30(5-2)18-17-29-28(34)25-16-13-23(20-26(25)35-3)31(22-11-14-24(32)15-12-22)27(33)19-21-9-7-6-8-10-21/h6-16,20,32H,4-5,17-19H2,1-3H3,(H,29,34)
InChIKeyHICZKQONTSKYKP-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.38
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide

N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide (PubChem CID 91565545) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide
PubChem CID91565545
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC NameN-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(N(C(=O)Cc2ccccc2)c2ccc(O)cc2)cc1OC
InChIInChI=1S/C28H33N3O4/c1-4-30(5-2)18-17-29-28(34)25-16-13-23(20-26(25)35-3)31(22-11-14-24(32)15-12-22)27(33)19-21-9-7-6-8-10-21/h6-16,20,32H,4-5,17-19H2,1-3H3,(H,29,34)
InChIKeyHICZKQONTSKYKP-UHFFFAOYSA-N
XLogP4.38
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide
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N-[2-(diethylamino)ethyl]-2-(4-hydroxyphenyl)acetamide
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N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxybenzoyl)amino]-2-methoxybenzamide
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CID 2308981
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
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2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
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N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide
CID 75430673
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
N-[2-(diethylamino)ethyl]-2-methoxy-4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]benzamide
CID 90810207

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide (CID 91565545) is N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide is CCN(CC)CCNC(=O)c1ccc(N(C(=O)Cc2ccccc2)c2ccc(O)cc2)cc1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide?
The InChIKey is HICZKQONTSKYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-4-30(5-2)18-17-29-28(34)25-16-13-23(20-26(25)35-3)31(22-11-14-24(32)15-12-22)27(33)19-21-9-7-6-8-10-21/h6-16,20,32H,4-5,17-19H2,1-3H3,(H,29,34).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide?
N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide has a molecular weight of 475.59 g/mol, XLogP of 4.38, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide is sourced from PubChem (CID 91565545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).