N-butyl-2-(pent-3-ynylamino)acetamide

C11H20N2O — CID 116643713

IUPACN-butyl-2-(pent-3-ynylamino)acetamide
SMILESCC#CCCNCC(=O)NCCCC
InChIInChI=1S/C11H20N2O/c1-3-5-7-8-12-10-11(14)13-9-6-4-2/h12H,4,6-10H2,1-2H3,(H,13,14)
InChIKeyBBVPSECCEHDQFS-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.91
Rot. Bonds7

About N-butyl-2-(pent-3-ynylamino)acetamide

N-butyl-2-(pent-3-ynylamino)acetamide (PubChem CID 116643713) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-butyl-2-(pent-3-ynylamino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(pent-3-ynylamino)acetamide
PubChem CID116643713
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-butyl-2-(pent-3-ynylamino)acetamide
SMILESCC#CCCNCC(=O)NCCCC
InChIInChI=1S/C11H20N2O/c1-3-5-7-8-12-10-11(14)13-9-6-4-2/h12H,4,6-10H2,1-2H3,(H,13,14)
InChIKeyBBVPSECCEHDQFS-UHFFFAOYSA-N
XLogP0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-pentyl-2-(pentylamino)acetamide
CID 109005932
2-(but-2-ynylamino)-N-propylacetamide
CID 62311535
N-butyl-2-(2,2-dimethylpropylamino)acetamide
CID 61485526
2-(pent-3-ynylamino)acetic acid
CID 104808695
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
N-butyl-N'-pentylpropanediamide
CID 89202031
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
CID 60672606
N-butyl-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760079
2-chloro-N-pent-3-ynylacetamide
CID 116643290
2-(3-methylbutylamino)-N-pentylacetamide
CID 109005799
N-(3-butoxypropyl)-2-(propylamino)acetamide
CID 115574332

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(pent-3-ynylamino)acetamide?
The IUPAC name of N-butyl-2-(pent-3-ynylamino)acetamide (CID 116643713) is N-butyl-2-(pent-3-ynylamino)acetamide.
What is the SMILES notation for N-butyl-2-(pent-3-ynylamino)acetamide?
The canonical SMILES for N-butyl-2-(pent-3-ynylamino)acetamide is CC#CCCNCC(=O)NCCCC.
What is the InChIKey of N-butyl-2-(pent-3-ynylamino)acetamide?
The InChIKey is BBVPSECCEHDQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-7-8-12-10-11(14)13-9-6-4-2/h12H,4,6-10H2,1-2H3,(H,13,14).
What are the key properties of N-butyl-2-(pent-3-ynylamino)acetamide?
N-butyl-2-(pent-3-ynylamino)acetamide has a molecular weight of 196.29 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(pent-3-ynylamino)acetamide is sourced from PubChem (CID 116643713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).