N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide

C25H27N3O5 — CID 74999760

IUPACN,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc2ccccc2c1)C(O)C(=O)NO
InChIInChI=1S/C25H27N3O5/c1-26-24(31)21(15-16-7-3-2-4-8-16)27-23(30)20(22(29)25(32)28-33)14-17-11-12-18-9-5-6-10-19(18)13-17/h2-13,20-22,29,33H,14-15H2,1H3,(H,26,31)(H,27,30)(H,28,32)
InChIKeySXOXCZACGQUJNW-UHFFFAOYSA-N
MW449.51 g/mol
LogP1.34
Rot. Bonds9

About N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide

N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide (PubChem CID 74999760) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide
PubChem CID74999760
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc2ccccc2c1)C(O)C(=O)NO
InChIInChI=1S/C25H27N3O5/c1-26-24(31)21(15-16-7-3-2-4-8-16)27-23(30)20(22(29)25(32)28-33)14-17-11-12-18-9-5-6-10-19(18)13-17/h2-13,20-22,29,33H,14-15H2,1H3,(H,26,31)(H,27,30)(H,28,32)
InChIKeySXOXCZACGQUJNW-UHFFFAOYSA-N
XLogP1.34
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 51.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[[4-(oxidoamino)phenyl]methyl]butanediamide
CID 163545836
(2R,3S)-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]-N',3-dihydroxy-2-(naphthalen-2-ylmethyl)butanediamide
CID 10093350
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N',3-dihydroxy-2-[(4-methylphenyl)methyl]butanediamide
CID 123949809
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-hydroxy-2-(naphthalen-2-ylmethyl)-N'-phenylmethoxybutanediamide
CID 59913882
2-[[(2S)-2-[[(2R)-2-[1-(hydroxyamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]ethanesulfinic acid
CID 89342881
N'-hydroxy-N-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 87854664
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide
CID 140992725
(2S,3R)-3-chloro-N-[(2S)-1-(ethylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 25176982
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
N-methyl-2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanamide
CID 22326951

Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide?
The IUPAC name of N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide (CID 74999760) is N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide.
What is the SMILES notation for N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide?
The canonical SMILES for N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide is CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc2ccccc2c1)C(O)C(=O)NO.
What is the InChIKey of N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide?
The InChIKey is SXOXCZACGQUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-26-24(31)21(15-16-7-3-2-4-8-16)27-23(30)20(22(29)25(32)28-33)14-17-11-12-18-9-5-6-10-19(18)13-17/h2-13,20-22,29,33H,14-15H2,1H3,(H,26,31)(H,27,30)(H,28,32).
What are the key properties of N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide?
N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide has a molecular weight of 449.51 g/mol, XLogP of 1.34, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide is sourced from PubChem (CID 74999760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).