N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide

C18H20N2O3 — CID 172913635

IUPACN-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCCc1ccc(O)cc1
InChIInChI=1S/C18H20N2O3/c21-16-8-6-14(7-9-16)10-12-19-17(22)11-13-20-18(23)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,19,22)(H,20,23)
InChIKeyZCQYGUFBGWTZGU-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.87
Rot. Bonds7

About N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide

N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide (PubChem CID 172913635) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide
PubChem CID172913635
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCCc1ccc(O)cc1
InChIInChI=1S/C18H20N2O3/c21-16-8-6-14(7-9-16)10-12-19-17(22)11-13-20-18(23)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,19,22)(H,20,23)
InChIKeyZCQYGUFBGWTZGU-UHFFFAOYSA-N
XLogP1.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
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N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
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N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 166202390
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
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4-ethyl-N-(2-phenylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide (CID 172913635) is N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)NCCc1ccc(O)cc1.
What is the InChIKey of N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide?
The InChIKey is ZCQYGUFBGWTZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-16-8-6-14(7-9-16)10-12-19-17(22)11-13-20-18(23)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,19,22)(H,20,23).
What are the key properties of N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide?
N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 172913635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).