(2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide

C21H20N4O5 — CID 11732290

IUPAC(2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide
SMILESC[C@@H](C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H20N4O5/c1-14(20(26)23-28)24(13-16-8-3-5-12-19(16)25(29)30)21(27)22-18-11-6-9-15-7-2-4-10-17(15)18/h2-12,14,28H,13H2,1H3,(H,22,27)(H,23,26)/t14-/m0/s1
InChIKeySDQDRWVNZJYOMM-AWEZNQCLSA-N
MW408.41 g/mol
LogP3.68
Rot. Bonds6

About (2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide

(2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide (PubChem CID 11732290) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide
PubChem CID11732290
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name(2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide
SMILESC[C@@H](C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H20N4O5/c1-14(20(26)23-28)24(13-16-8-3-5-12-19(16)25(29)30)21(27)22-18-11-6-9-15-7-2-4-10-17(15)18/h2-12,14,28H,13H2,1H3,(H,22,27)(H,23,26)/t14-/m0/s1
InChIKeySDQDRWVNZJYOMM-AWEZNQCLSA-N
XLogP3.68
TPSA124.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide
CID 101074352
3-methyl-N-naphthalen-1-yl-2-[(2-nitrophenyl)sulfonylamino]butanamide
CID 2891907
(2S)-2-[benzenesulfonyl-[(2-nitrophenyl)methyl]amino]-N-hydroxypropanamide
CID 11111664
(2S)-2-[(2-bromophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 8515538
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
(2S)-2-[benzenesulfonylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanoic acid
CID 11090819
[2-(hydroxymethyl)-6-nitrophenyl] 2-methylpropanoate
CID 170949276
2-methyl-N-(6-nitronaphthalen-1-yl)propanamide
CID 163232974
N-methyl-N-[(2-nitrophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60945755
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide
CID 110880711
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-naphthalen-1-ylpropanamide
CID 4819372

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide (CID 11732290) is (2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide is C[C@@H](C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide?
The InChIKey is SDQDRWVNZJYOMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-14(20(26)23-28)24(13-16-8-3-5-12-19(16)25(29)30)21(27)22-18-11-6-9-15-7-2-4-10-17(15)18/h2-12,14,28H,13H2,1H3,(H,22,27)(H,23,26)/t14-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide?
(2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide has a molecular weight of 408.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[naphthalen-1-ylcarbamoyl-[(2-nitrophenyl)methyl]amino]propanamide is sourced from PubChem (CID 11732290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).