N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide

C12H24N2O4 — CID 163428248

IUPACN-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCCCC(NCO)C(C)=O
InChIInChI=1S/C12H24N2O4/c1-10(16)11(14-9-15)5-3-4-7-13-12(17)6-8-18-2/h11,14-15H,3-9H2,1-2H3,(H,13,17)
InChIKeyAOIMQYASKZVFEA-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.19
Rot. Bonds11

About N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide

N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide (PubChem CID 163428248) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide
PubChem CID163428248
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC NameN-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCCCC(NCO)C(C)=O
InChIInChI=1S/C12H24N2O4/c1-10(16)11(14-9-15)5-3-4-7-13-12(17)6-8-18-2/h11,14-15H,3-9H2,1-2H3,(H,13,17)
InChIKeyAOIMQYASKZVFEA-UHFFFAOYSA-N
XLogP-0.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide 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

2-(hydroxymethylamino)-5-[2-[2-[2-[2-[2-[2-[[5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 123369218
2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 159874628
methane;3-methoxy-N-pentylpropanamide
CID 157319265
N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide
CID 153475321
9H-fluoren-9-ylmethyl N-[(3S)-7-(3-methoxypropanoylamino)-2-oxoheptan-3-yl]carbamate
CID 157108550
2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide
CID 118136970
4-methoxy-N-[5-(4-methoxybutanoylamino)hexyl]butanamide
CID 59074160
4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide
CID 146520641
3-[2-(3,3-dimethylbutoxy)ethoxy]-N-[(5S)-5-(methylamino)-6-oxoheptyl]propanamide
CID 171600339
N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide
CID 118351233
N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-(1,2,4,6-tetrahydroxy-3-methylhexoxy)pentanamide
CID 146352037
2-acetamido-5-[[1-carboxy-4-[[1-carboxy-4-[[1-carboxy-4-oxo-4-[[6-oxo-5-(propylamino)heptyl]amino]butyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoic acid
CID 123418902

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide?
The IUPAC name of N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide (CID 163428248) is N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide.
What is the SMILES notation for N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide?
The canonical SMILES for N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide is COCCC(=O)NCCCCC(NCO)C(C)=O.
What is the InChIKey of N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide?
The InChIKey is AOIMQYASKZVFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-10(16)11(14-9-15)5-3-4-7-13-12(17)6-8-18-2/h11,14-15H,3-9H2,1-2H3,(H,13,17).
What are the key properties of N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide?
N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide has a molecular weight of 260.33 g/mol, XLogP of -0.19, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide is sourced from PubChem (CID 163428248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).