N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide

C23H30N3O4P — CID 163604381

IUPACN-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide
SMILESCNC(C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)P=O)C(C)C
InChIInChI=1S/C23H30N3O4P/c1-15(2)21(24-3)23(29)25-19(13-16-7-5-4-6-8-16)22(28)26-20(31-30)14-17-9-11-18(27)12-10-17/h4-12,15,19-21,24,27H,13-14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyHAMDMZWCWCDPIV-UHFFFAOYSA-N
MW443.48 g/mol
LogP2.64
Rot. Bonds11

About N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide

N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide (PubChem CID 163604381) has the molecular formula C23H30N3O4P and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound NameN-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide
PubChem CID163604381
Molecular FormulaC23H30N3O4P
Molecular Weight443.48 g/mol
Exact Mass443.20
IUPAC NameN-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide
SMILESCNC(C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)P=O)C(C)C
InChIInChI=1S/C23H30N3O4P/c1-15(2)21(24-3)23(29)25-19(13-16-7-5-4-6-8-16)22(28)26-20(31-30)14-17-9-11-18(27)12-10-17/h4-12,15,19-21,24,27H,13-14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyHAMDMZWCWCDPIV-UHFFFAOYSA-N
XLogP2.64
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid
CID 18223403
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoic acid
CID 6992485
(2R)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
CID 7188264
(2S)-3-(4-hydroxyphenyl)-2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
CID 7188262
3-amino-4-[[1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 18254364
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid
CID 18750666
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 11582709
benzyl N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 71348774
(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate
CID 86308261
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 18301810
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 74983348
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-methylbutanoic acid
CID 24984495

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide?
The IUPAC name of N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide (CID 163604381) is N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide.
What is the SMILES notation for N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide?
The canonical SMILES for N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide is CNC(C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)P=O)C(C)C.
What is the InChIKey of N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide?
The InChIKey is HAMDMZWCWCDPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N3O4P/c1-15(2)21(24-3)23(29)25-19(13-16-7-5-4-6-8-16)22(28)26-20(31-30)14-17-9-11-18(27)12-10-17/h4-12,15,19-21,24,27H,13-14H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide?
N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide has a molecular weight of 443.48 g/mol, XLogP of 2.64, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(4-hydroxyphenyl)-1-phosphorosoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 163604381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).