2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide

C16H24N2O3 — CID 76894991

IUPAC2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide
SMILESCCN(CC1CCOC1)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C16H24N2O3/c1-2-18(10-13-7-8-21-11-13)16(20)15(17)9-12-3-5-14(19)6-4-12/h3-6,13,15,19H,2,7-11,17H2,1H3
InChIKeyWOHRRXSVEADEBF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.15
Rot. Bonds6

About 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide

2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 76894991) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide
PubChem CID76894991
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide
SMILESCCN(CC1CCOC1)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C16H24N2O3/c1-2-18(10-13-7-8-21-11-13)16(20)15(17)9-12-3-5-14(19)6-4-12/h3-6,13,15,19H,2,7-11,17H2,1H3
InChIKeyWOHRRXSVEADEBF-UHFFFAOYSA-N
XLogP1.15
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 76951643
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
CID 104984084
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide
CID 54874277
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 76894221
oxan-4-ylmethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 104905857
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 103101968
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide
CID 114350573
3-amino-N-ethyl-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 62668913
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76904317
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide (CID 76894991) is 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide is CCN(CC1CCOC1)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is WOHRRXSVEADEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-18(10-13-7-8-21-11-13)16(20)15(17)9-12-3-5-14(19)6-4-12/h3-6,13,15,19H,2,7-11,17H2,1H3.
What are the key properties of 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide?
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 76894991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).