(2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride

C19H24ClN3O3 — CID 154908625

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride
SMILESCc1cccc(NC(=O)CCNC(=O)[C@@H](N)Cc2ccc(O)cc2)c1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-13-3-2-4-15(11-13)22-18(24)9-10-21-19(25)17(20)12-14-5-7-16(23)8-6-14;/h2-8,11,17,23H,9-10,12,20H2,1H3,(H,21,25)(H,22,24);1H/t17-;/m0./s1
InChIKeyRMUZQAUSYHKNRG-LMOVPXPDSA-N
MW377.87 g/mol
LogP2.14
Rot. Bonds7

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride

(2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride (PubChem CID 154908625) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride
PubChem CID154908625
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride
SMILESCc1cccc(NC(=O)CCNC(=O)[C@@H](N)Cc2ccc(O)cc2)c1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-13-3-2-4-15(11-13)22-18(24)9-10-21-19(25)17(20)12-14-5-7-16(23)8-6-14;/h2-8,11,17,23H,9-10,12,20H2,1H3,(H,21,25)(H,22,24);1H/t17-;/m0./s1
InChIKeyRMUZQAUSYHKNRG-LMOVPXPDSA-N
XLogP2.14
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide
CID 104904818
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2S)-3-(4-hydroxyphenyl)-2-[(3-methylphenyl)carbamoylamino]propanoic acid
CID 135183756
(2S)-2-amino-4-methyl-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]pentanamide;hydrochloride
CID 119750862
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905420
3-(4-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109034139
(2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 61148013

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride (CID 154908625) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride is Cc1cccc(NC(=O)CCNC(=O)[C@@H](N)Cc2ccc(O)cc2)c1.Cl.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride?
The InChIKey is RMUZQAUSYHKNRG-LMOVPXPDSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-13-3-2-4-15(11-13)22-18(24)9-10-21-19(25)17(20)12-14-5-7-16(23)8-6-14;/h2-8,11,17,23H,9-10,12,20H2,1H3,(H,21,25)(H,22,24);1H/t17-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 2.14, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride is sourced from PubChem (CID 154908625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).