(2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide

C19H25N3O2 — CID 66751193

IUPAC(2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide
SMILESCC(O)c1ccc(C[C@H](N)C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H25N3O2/c1-13(23)15-6-4-14(5-7-15)12-18(20)19(24)21-16-8-10-17(11-9-16)22(2)3/h4-11,13,18,23H,12,20H2,1-3H3,(H,21,24)/t13?,18-/m0/s1
InChIKeyAHJRUSQZQAYCJF-UWBLVGDVSA-N
MW327.43 g/mol
LogP2.31
Rot. Bonds6

About (2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide

(2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide (PubChem CID 66751193) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide
PubChem CID66751193
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide
SMILESCC(O)c1ccc(C[C@H](N)C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H25N3O2/c1-13(23)15-6-4-14(5-7-15)12-18(20)19(24)21-16-8-10-17(11-9-16)22(2)3/h4-11,13,18,23H,12,20H2,1-3H3,(H,21,24)/t13?,18-/m0/s1
InChIKeyAHJRUSQZQAYCJF-UWBLVGDVSA-N
XLogP2.31
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
(2R)-2-amino-3-benzylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 22805618
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide
CID 20684753
2-amino-N-[4-(dimethylamino)phenyl]-5-methoxypentanamide
CID 81082598
N'-[4-(dimethylamino)phenyl]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 2300942
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 104904568
(2R)-2-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 41236597
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide (CID 66751193) is (2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide is CC(O)c1ccc(C[C@H](N)C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide?
The InChIKey is AHJRUSQZQAYCJF-UWBLVGDVSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(23)15-6-4-14(5-7-15)12-18(20)19(24)21-16-8-10-17(11-9-16)22(2)3/h4-11,13,18,23H,12,20H2,1-3H3,(H,21,24)/t13?,18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide?
(2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(dimethylamino)phenyl]-3-[4-(1-hydroxyethyl)phenyl]propanamide is sourced from PubChem (CID 66751193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).