(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide

C16H25N3O2 — CID 104905132

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCN(CCN1CCCC1)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H25N3O2/c1-18(10-11-19-8-2-3-9-19)16(21)15(17)12-13-4-6-14(20)7-5-13/h4-7,15,20H,2-3,8-12,17H2,1H3/t15-/m1/s1
InChIKeyJHJFYHORTYVNQO-OAHLLOKOSA-N
MW291.39 g/mol
LogP0.82
Rot. Bonds6

About (2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide

(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 104905132) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID104905132
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCN(CCN1CCCC1)C(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H25N3O2/c1-18(10-11-19-8-2-3-9-19)16(21)15(17)12-13-4-6-14(20)7-5-13/h4-7,15,20H,2-3,8-12,17H2,1H3/t15-/m1/s1
InChIKeyJHJFYHORTYVNQO-OAHLLOKOSA-N
XLogP0.82
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76893887
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
2-amino-3-(4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 76905886
2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 107199354
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893468
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905584
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 79379558

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 104905132) is (2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide is CN(CCN1CCCC1)C(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is JHJFYHORTYVNQO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(10-11-19-8-2-3-9-19)16(21)15(17)12-13-4-6-14(20)7-5-13/h4-7,15,20H,2-3,8-12,17H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
(2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 104905132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).