2-[3-(butylamino)propylidene]decanamide

C17H34N2O — CID 174854372

IUPAC2-[3-(butylamino)propylidene]decanamide
SMILESCCCCCCCCC(=CCCNCCCC)C(N)=O
InChIInChI=1S/C17H34N2O/c1-3-5-7-8-9-10-12-16(17(18)20)13-11-15-19-14-6-4-2/h13,19H,3-12,14-15H2,1-2H3,(H2,18,20)
InChIKeyMOOCRWMNDOVSKI-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.93
Rot. Bonds14

About 2-[3-(butylamino)propylidene]decanamide

2-[3-(butylamino)propylidene]decanamide (PubChem CID 174854372) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[3-(butylamino)propylidene]decanamide.

Molecular Properties

Compound Name2-[3-(butylamino)propylidene]decanamide
PubChem CID174854372
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[3-(butylamino)propylidene]decanamide
SMILESCCCCCCCCC(=CCCNCCCC)C(N)=O
InChIInChI=1S/C17H34N2O/c1-3-5-7-8-9-10-12-16(17(18)20)13-11-15-19-14-6-4-2/h13,19H,3-12,14-15H2,1-2H3,(H2,18,20)
InChIKeyMOOCRWMNDOVSKI-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-dodecylpentadec-2-enamide
CID 173002797
2-nonylidenedodecanediamide
CID 154630805
6-(decylamino)hexanamide
CID 13292350
12-(hexylamino)dodecanamide
CID 174861179
2-hexylnon-2-enamide;prop-2-enoic acid
CID 174868257
2-hexylidenehexanediamide
CID 140969893
2-ethylideneoctadecanamide
CID 141119567
4-[4-(tetradecylamino)butylamino]butanamide
CID 175024979
N-butylbutan-1-amine;octanoic acid
CID 53326963
1-(butylamino)nonadecan-4-one
CID 156784591
acetamide;N-butylbutan-1-amine
CID 172792447
2-octadecylbut-2-enediamide
CID 73412414

Frequently Asked Questions

What is the IUPAC name of 2-[3-(butylamino)propylidene]decanamide?
The IUPAC name of 2-[3-(butylamino)propylidene]decanamide (CID 174854372) is 2-[3-(butylamino)propylidene]decanamide.
What is the SMILES notation for 2-[3-(butylamino)propylidene]decanamide?
The canonical SMILES for 2-[3-(butylamino)propylidene]decanamide is CCCCCCCCC(=CCCNCCCC)C(N)=O.
What is the InChIKey of 2-[3-(butylamino)propylidene]decanamide?
The InChIKey is MOOCRWMNDOVSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-5-7-8-9-10-12-16(17(18)20)13-11-15-19-14-6-4-2/h13,19H,3-12,14-15H2,1-2H3,(H2,18,20).
What are the key properties of 2-[3-(butylamino)propylidene]decanamide?
2-[3-(butylamino)propylidene]decanamide has a molecular weight of 282.47 g/mol, XLogP of 3.93, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(butylamino)propylidene]decanamide is sourced from PubChem (CID 174854372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).