N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide

C22H27N3O4 — CID 22879618

IUPACN-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)N(O)C(=O)CCCCc1ccccc1
InChIInChI=1S/C22H27N3O4/c1-23-21(27)19(16-18-13-6-3-7-14-18)24-22(28)25(29)20(26)15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14,19,29H,8-9,12,15-16H2,1H3,(H,23,27)(H,24,28)/t19-/m0/s1
InChIKeyISKSORHHOUZHMW-IBGZPJMESA-N
MW397.48 g/mol
LogP2.68
Rot. Bonds9

About N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide

N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide (PubChem CID 22879618) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide
PubChem CID22879618
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)N(O)C(=O)CCCCc1ccccc1
InChIInChI=1S/C22H27N3O4/c1-23-21(27)19(16-18-13-6-3-7-14-18)24-22(28)25(29)20(26)15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14,19,29H,8-9,12,15-16H2,1H3,(H,23,27)(H,24,28)/t19-/m0/s1
InChIKeyISKSORHHOUZHMW-IBGZPJMESA-N
XLogP2.68
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide 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

N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 143986713
(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
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230
(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
CID 71457400
[4-[(2R)-3-(methylamino)-3-oxo-2-(3-phenylpropanoylamino)propyl]phenyl]sulfamic acid
CID 10024248
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713
(2R)-2-amino-3-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11003677
methyl 2-[[3-phenyl-2-(6-phenylhexanoylamino)propanoyl]amino]propanoate
CID 123314292
N-methyl-9-phenylnonanamide
CID 118028570
2-formamido-N-methyl-3-phenylpropanamide
CID 14245854
2-amino-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 21262270

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide?
The IUPAC name of N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide (CID 22879618) is N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide.
What is the SMILES notation for N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide?
The canonical SMILES for N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide is CNC(=O)[C@H](Cc1ccccc1)NC(=O)N(O)C(=O)CCCCc1ccccc1.
What is the InChIKey of N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide?
The InChIKey is ISKSORHHOUZHMW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O4/c1-23-21(27)19(16-18-13-6-3-7-14-18)24-22(28)25(29)20(26)15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14,19,29H,8-9,12,15-16H2,1H3,(H,23,27)(H,24,28)/t19-/m0/s1.
What are the key properties of N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide?
N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide has a molecular weight of 397.48 g/mol, XLogP of 2.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide is sourced from PubChem (CID 22879618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).