N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide

C12H23N3O2 — CID 129045676

IUPACN-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide
SMILESC=C(NC)C(CCCCNC(C)=O)NC(C)=O
InChIInChI=1S/C12H23N3O2/c1-9(13-4)12(15-11(3)17)7-5-6-8-14-10(2)16/h12-13H,1,5-8H2,2-4H3,(H,14,16)(H,15,17)
InChIKeyAUDFHWFUZDMNFI-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.53
Rot. Bonds8

About N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide

N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide (PubChem CID 129045676) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide.

Molecular Properties

Compound NameN-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide
PubChem CID129045676
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide
SMILESC=C(NC)C(CCCCNC(C)=O)NC(C)=O
InChIInChI=1S/C12H23N3O2/c1-9(13-4)12(15-11(3)17)7-5-6-8-14-10(2)16/h12-13H,1,5-8H2,2-4H3,(H,14,16)(H,15,17)
InChIKeyAUDFHWFUZDMNFI-UHFFFAOYSA-N
XLogP0.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide 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-[[(3S)-3,6-diaminohex-1-en-2-yl]amino]-N-methyl-N-octadecylacetamide
CID 59918269
N-[(3S)-6-amino-2-methylhex-1-en-3-yl]acetamide
CID 89028667
2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide
CID 89028843
2-[[(3S)-3-acetamidohept-1-en-2-yl]amino]acetic acid
CID 89355788
methyl N-[7-(methoxymethylamino)-2-(methylamino)hept-1-en-3-yl]carbamate
CID 89509287
N-(2-acetamido-4-methylidenecyclohexyl)acetamide
CID 91260534
(2S)-2-[[(2S)-2,4-diaminobutanoyl]amino]-N-[(3S)-2,5-diaminopent-1-en-3-yl]pentanamide
CID 118011617
N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide
CID 118532169
2-[[(3S)-3-(iodoamino)-7-[[2-(sulfanylamino)acetyl]amino]hept-1-en-2-yl]amino]acetamide
CID 118565450
N-[(3S)-2,7-diaminohept-1-en-3-yl]formamide
CID 122582267
N-[3-(dimethylamino)but-3-en-2-yl]acetamide
CID 123435703
2-amino-N-(2-methylhept-1-en-3-yl)acetamide
CID 123785275

Frequently Asked Questions

What is the IUPAC name of N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide?
The IUPAC name of N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide (CID 129045676) is N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide.
What is the SMILES notation for N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide?
The canonical SMILES for N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide is C=C(NC)C(CCCCNC(C)=O)NC(C)=O.
What is the InChIKey of N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide?
The InChIKey is AUDFHWFUZDMNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(13-4)12(15-11(3)17)7-5-6-8-14-10(2)16/h12-13H,1,5-8H2,2-4H3,(H,14,16)(H,15,17).
What are the key properties of N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide?
N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide has a molecular weight of 241.33 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide is sourced from PubChem (CID 129045676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).