6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide

C15H21N5O3 — CID 166172986

IUPAC6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide
SMILES[N-]=[N+]=NCCCCCC(=O)NCC(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C15H21N5O3/c16-20-18-9-3-1-2-4-14(22)17-10-15(23)19-13-7-5-12(11-21)6-8-13/h5-8,21H,1-4,9-11H2,(H,17,22)(H,19,23)
InChIKeyWELXDCZWRUTBRS-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.10
Rot. Bonds10

About 6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide

6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide (PubChem CID 166172986) has the molecular formula C15H21N5O3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide.

Molecular Properties

Compound Name6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide
PubChem CID166172986
Molecular FormulaC15H21N5O3
Molecular Weight319.36 g/mol
Exact Mass319.16
IUPAC Name6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide
SMILES[N-]=[N+]=NCCCCCC(=O)NCC(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C15H21N5O3/c16-20-18-9-3-1-2-4-14(22)17-10-15(23)19-13-7-5-12(11-21)6-8-13/h5-8,21H,1-4,9-11H2,(H,17,22)(H,19,23)
InChIKeyWELXDCZWRUTBRS-UHFFFAOYSA-N
XLogP2.10
TPSA127.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-azido-N-(4-phenoxyphenyl)hexanamide
CID 42612296
7-azido-N-(4-phenoxyphenyl)heptanamide
CID 44817914
6-azido-N-(4-ethoxyphenyl)hexanamide
CID 42612189
9-azido-N-(4-phenoxyphenyl)nonanamide
CID 44817916
8-[4-(hydroxymethyl)anilino]-8-oxooctanoic acid
CID 57326777
12-azido-N-benzyldodecanamide
CID 19611794
(2S)-2-[[(2S)-2-(5-azidopentanoylamino)-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]pentanamide
CID 167506258
4-azido-N-(4-methylsulfanylphenyl)butanamide
CID 42611968
N-[2-[[1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide
CID 155704657
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
7-methyl-N-[2-[[2-[4-(2-methylpropyl)anilino]-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 146406468
6-(2,5-dioxopyrrol-1-yl)-N-[2-[[(2S)-1-[[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]hexanamide
CID 167299308

Frequently Asked Questions

What is the IUPAC name of 6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide?
The IUPAC name of 6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide (CID 166172986) is 6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide.
What is the SMILES notation for 6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide?
The canonical SMILES for 6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide is [N-]=[N+]=NCCCCCC(=O)NCC(=O)Nc1ccc(CO)cc1.
What is the InChIKey of 6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide?
The InChIKey is WELXDCZWRUTBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c16-20-18-9-3-1-2-4-14(22)17-10-15(23)19-13-7-5-12(11-21)6-8-13/h5-8,21H,1-4,9-11H2,(H,17,22)(H,19,23).
What are the key properties of 6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide?
6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide has a molecular weight of 319.36 g/mol, XLogP of 2.10, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 166172986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).