3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide

C18H19IN2O3 — CID 4990311

IUPAC3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NC(CO)C(=O)NCc1cccc(I)c1
InChIInChI=1S/C18H19IN2O3/c19-15-8-4-7-14(9-15)11-20-18(24)16(12-22)21-17(23)10-13-5-2-1-3-6-13/h1-9,16,22H,10-12H2,(H,20,24)(H,21,23)
InChIKeyWIVWAKQUYVNTJF-UHFFFAOYSA-N
MW438.27 g/mol
LogP1.63
Rot. Bonds7

About 3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide

3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide (PubChem CID 4990311) has the molecular formula C18H19IN2O3 and a molecular weight of 438.27 g/mol. Its IUPAC name is 3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide
PubChem CID4990311
Molecular FormulaC18H19IN2O3
Molecular Weight438.27 g/mol
Exact Mass438.04
IUPAC Name3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NC(CO)C(=O)NCc1cccc(I)c1
InChIInChI=1S/C18H19IN2O3/c19-15-8-4-7-14(9-15)11-20-18(24)16(12-22)21-17(23)10-13-5-2-1-3-6-13/h1-9,16,22H,10-12H2,(H,20,24)(H,21,23)
InChIKeyWIVWAKQUYVNTJF-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
CID 6667382
(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724767
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-N-[(3-iodophenyl)methyl]-3-phenylpropanamide
CID 71418593
N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001
phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 23940970
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide
CID 6723013
ethyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 53344986
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-(2-phenylpropanoylamino)propanamide
CID 4156085
N-benzyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
CID 4523503
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of 3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide (CID 4990311) is 3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for 3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for 3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide is O=C(Cc1ccccc1)NC(CO)C(=O)NCc1cccc(I)c1.
What is the InChIKey of 3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide?
The InChIKey is WIVWAKQUYVNTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O3/c19-15-8-4-7-14(9-15)11-20-18(24)16(12-22)21-17(23)10-13-5-2-1-3-6-13/h1-9,16,22H,10-12H2,(H,20,24)(H,21,23).
What are the key properties of 3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide?
3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide has a molecular weight of 438.27 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3-iodophenyl)methyl]-2-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 4990311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).