3-[4-(9-aminonon-1-ynyl)anilino]propanamide

C18H27N3O — CID 156707055

IUPAC3-[4-(9-aminonon-1-ynyl)anilino]propanamide
SMILESNCCCCCCCC#Cc1ccc(NCCC(N)=O)cc1
InChIInChI=1S/C18H27N3O/c19-14-7-5-3-1-2-4-6-8-16-9-11-17(12-10-16)21-15-13-18(20)22/h9-12,21H,1-5,7,13-15,19H2,(H2,20,22)
InChIKeyBPXAPMHZBGTGND-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.62
Rot. Bonds10

About 3-[4-(9-aminonon-1-ynyl)anilino]propanamide

3-[4-(9-aminonon-1-ynyl)anilino]propanamide (PubChem CID 156707055) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[4-(9-aminonon-1-ynyl)anilino]propanamide.

Molecular Properties

Compound Name3-[4-(9-aminonon-1-ynyl)anilino]propanamide
PubChem CID156707055
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-[4-(9-aminonon-1-ynyl)anilino]propanamide
SMILESNCCCCCCCC#Cc1ccc(NCCC(N)=O)cc1
InChIInChI=1S/C18H27N3O/c19-14-7-5-3-1-2-4-6-8-16-9-11-17(12-10-16)21-15-13-18(20)22/h9-12,21H,1-5,7,13-15,19H2,(H2,20,22)
InChIKeyBPXAPMHZBGTGND-UHFFFAOYSA-N
XLogP2.62
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 60815623
3-(4-bromoanilino)propanamide;ethane
CID 169234714
4-(4-aminobutylamino)benzamide
CID 117097342
2-(benzenesulfinyl)-1-[4-[9-(4-chlorophenyl)non-8-ynylamino]phenyl]ethanone
CID 54178690
N-(3-amino-3-oxopropyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60821595
3-(4-propylanilino)propanamide
CID 43244066
3-[[4-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]propanamide
CID 54926683
[4-[4-(methylamino)but-1-ynyl]phenyl]urea
CID 170464678
4-anilinobutanamide
CID 67066705
3-(3,4-dimethylanilino)propanamide
CID 43131963
N-(4-aminobutyl)-4-(3-aminoprop-1-ynyl)benzamide
CID 172548745
5-(4-methoxyphenyl)pent-4-ynamide
CID 125493873

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9-aminonon-1-ynyl)anilino]propanamide?
The IUPAC name of 3-[4-(9-aminonon-1-ynyl)anilino]propanamide (CID 156707055) is 3-[4-(9-aminonon-1-ynyl)anilino]propanamide.
What is the SMILES notation for 3-[4-(9-aminonon-1-ynyl)anilino]propanamide?
The canonical SMILES for 3-[4-(9-aminonon-1-ynyl)anilino]propanamide is NCCCCCCCC#Cc1ccc(NCCC(N)=O)cc1.
What is the InChIKey of 3-[4-(9-aminonon-1-ynyl)anilino]propanamide?
The InChIKey is BPXAPMHZBGTGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c19-14-7-5-3-1-2-4-6-8-16-9-11-17(12-10-16)21-15-13-18(20)22/h9-12,21H,1-5,7,13-15,19H2,(H2,20,22).
What are the key properties of 3-[4-(9-aminonon-1-ynyl)anilino]propanamide?
3-[4-(9-aminonon-1-ynyl)anilino]propanamide has a molecular weight of 301.43 g/mol, XLogP of 2.62, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9-aminonon-1-ynyl)anilino]propanamide is sourced from PubChem (CID 156707055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).