N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide

C23H31N3O2 — CID 168752934

IUPACN-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide
SMILESCC(C)(C)C(=O)N(O)Cc1ccc(Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O2/c1-23(2,3)22(27)26(28)17-18-7-9-19(10-8-18)24-20-11-13-21(14-12-20)25-15-5-4-6-16-25/h7-14,24,28H,4-6,15-17H2,1-3H3
InChIKeyGUVIWFVFTRFQGD-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.18
Rot. Bonds5

About N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide

N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide (PubChem CID 168752934) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide
PubChem CID168752934
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide
SMILESCC(C)(C)C(=O)N(O)Cc1ccc(Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O2/c1-23(2,3)22(27)26(28)17-18-7-9-19(10-8-18)24-20-11-13-21(14-12-20)25-15-5-4-6-16-25/h7-14,24,28H,4-6,15-17H2,1-3H3
InChIKeyGUVIWFVFTRFQGD-UHFFFAOYSA-N
XLogP5.18
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-[[4-(4-methoxyanilino)phenyl]methyl]-2,2-dimethylpropanamide
CID 166062614
N-hydroxy-2-(4-methylpiperazin-1-yl)-N-[[4-(4-morpholin-4-ylanilino)phenyl]methyl]acetamide
CID 168753026
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
CID 112988794
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195
N-hydroxy-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propanamide
CID 15670573
2-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]propan-1-ol
CID 28725563
N-[4-(azepan-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 63679380
1-acetyl-N-[[4-(4-tert-butylanilino)phenyl]methyl]-N-hydroxypiperidine-4-carboxamide
CID 166062580
tert-butyl 3-oxo-4-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]piperazine-1-carboxylate
CID 166062483

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide?
The IUPAC name of N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide (CID 168752934) is N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide.
What is the SMILES notation for N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide?
The canonical SMILES for N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide is CC(C)(C)C(=O)N(O)Cc1ccc(Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide?
The InChIKey is GUVIWFVFTRFQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-23(2,3)22(27)26(28)17-18-7-9-19(10-8-18)24-20-11-13-21(14-12-20)25-15-5-4-6-16-25/h7-14,24,28H,4-6,15-17H2,1-3H3.
What are the key properties of N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide?
N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide has a molecular weight of 381.52 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,2-dimethyl-N-[[4-(4-piperidin-1-ylanilino)phenyl]methyl]propanamide is sourced from PubChem (CID 168752934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).