N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide

C17H27N3O4 — CID 87264455

IUPACN-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@@H](CN(O)C=O)C(=O)NNCc1ccc(OC)cc1
InChIInChI=1S/C17H27N3O4/c1-3-4-5-6-15(12-20(23)13-21)17(22)19-18-11-14-7-9-16(24-2)10-8-14/h7-10,13,15,18,23H,3-6,11-12H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyUVFRQQQSMFUGDG-HNNXBMFYSA-N
MW337.42 g/mol
LogP1.86
Rot. Bonds12

About N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide (PubChem CID 87264455) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide
PubChem CID87264455
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@@H](CN(O)C=O)C(=O)NNCc1ccc(OC)cc1
InChIInChI=1S/C17H27N3O4/c1-3-4-5-6-15(12-20(23)13-21)17(22)19-18-11-14-7-9-16(24-2)10-8-14/h7-10,13,15,18,23H,3-6,11-12H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyUVFRQQQSMFUGDG-HNNXBMFYSA-N
XLogP1.86
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide 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-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 21019696
N-[(2R)-2-[(furan-3-ylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 142776027
N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264131
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(6-methoxy-2-pyridinyl)furan-2-carboxamide
CID 118225857
N-hydroxy-N-[2-[[[4-(2,3,4-trimethoxyphenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87264534
3-[(4-methoxyphenyl)methyl]hexadecan-2-one
CID 70021103
N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide
CID 10111888
N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264087
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-propan-2-yloxyphenyl)furan-2-carboxamide
CID 118226212
N-hydroxy-N-[(2S)-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
CID 87264048

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide (CID 87264455) is N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide is CCCCC[C@@H](CN(O)C=O)C(=O)NNCc1ccc(OC)cc1.
What is the InChIKey of N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide?
The InChIKey is UVFRQQQSMFUGDG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-3-4-5-6-15(12-20(23)13-21)17(22)19-18-11-14-7-9-16(24-2)10-8-14/h7-10,13,15,18,23H,3-6,11-12H2,1-2H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide has a molecular weight of 337.42 g/mol, XLogP of 1.86, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87264455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).