N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide

C23H29N3O4 — CID 174859874

IUPACN-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide
SMILESCC(=O)C(c1ccc(CN2CCOCC2)cc1)c1ccc(C(=O)NCCNO)cc1
InChIInChI=1S/C23H29N3O4/c1-17(27)22(20-6-8-21(9-7-20)23(28)24-10-11-25-29)19-4-2-18(3-5-19)16-26-12-14-30-15-13-26/h2-9,22,25,29H,10-16H2,1H3,(H,24,28)
InChIKeyBBDDJNUQZTTXBP-UHFFFAOYSA-N
MW411.50 g/mol
LogP1.95
Rot. Bonds9

About N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide

N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide (PubChem CID 174859874) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide
PubChem CID174859874
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide
SMILESCC(=O)C(c1ccc(CN2CCOCC2)cc1)c1ccc(C(=O)NCCNO)cc1
InChIInChI=1S/C23H29N3O4/c1-17(27)22(20-6-8-21(9-7-20)23(28)24-10-11-25-29)19-4-2-18(3-5-19)16-26-12-14-30-15-13-26/h2-9,22,25,29H,10-16H2,1H3,(H,24,28)
InChIKeyBBDDJNUQZTTXBP-UHFFFAOYSA-N
XLogP1.95
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 94013989
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 56921966
2-hydroxy-N'-[4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]phenyl]-2-propan-2-ylpropanediamide
CID 174860240
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide?
The IUPAC name of N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide (CID 174859874) is N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide.
What is the SMILES notation for N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide?
The canonical SMILES for N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide is CC(=O)C(c1ccc(CN2CCOCC2)cc1)c1ccc(C(=O)NCCNO)cc1.
What is the InChIKey of N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide?
The InChIKey is BBDDJNUQZTTXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-17(27)22(20-6-8-21(9-7-20)23(28)24-10-11-25-29)19-4-2-18(3-5-19)16-26-12-14-30-15-13-26/h2-9,22,25,29H,10-16H2,1H3,(H,24,28).
What are the key properties of N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide?
N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide is sourced from PubChem (CID 174859874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).