N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide

C19H24N2O2 — CID 110912716

IUPACN-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-14(16-8-7-11-18(12-16)21-15(2)22)20-13-19(3,23)17-9-5-4-6-10-17/h4-12,14,20,23H,13H2,1-3H3,(H,21,22)
InChIKeyCTEPSLOGSOGASX-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.20
Rot. Bonds6

About N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide (PubChem CID 110912716) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
PubChem CID110912716
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O2/c1-14(16-8-7-11-18(12-16)21-15(2)22)20-13-19(3,23)17-9-5-4-6-10-17/h4-12,14,20,23H,13H2,1-3H3,(H,21,22)
InChIKeyCTEPSLOGSOGASX-UHFFFAOYSA-N
XLogP3.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62309945
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N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide
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CID 60979755
(Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide (CID 110912716) is N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCC(C)(O)c2ccccc2)c1.
What is the InChIKey of N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide?
The InChIKey is CTEPSLOGSOGASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(16-8-7-11-18(12-16)21-15(2)22)20-13-19(3,23)17-9-5-4-6-10-17/h4-12,14,20,23H,13H2,1-3H3,(H,21,22).
What are the key properties of N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide has a molecular weight of 312.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 110912716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).