N-hex-1-yn-3-yl-2-methoxypropanamide

C10H17NO2 — CID 103528920

IUPACN-hex-1-yn-3-yl-2-methoxypropanamide
SMILESC#CC(CCC)NC(=O)C(C)OC
InChIInChI=1S/C10H17NO2/c1-5-7-9(6-2)11-10(12)8(3)13-4/h2,8-9H,5,7H2,1,3-4H3,(H,11,12)
InChIKeyFUWRWCPVMZXFOY-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds5

About N-hex-1-yn-3-yl-2-methoxypropanamide

N-hex-1-yn-3-yl-2-methoxypropanamide (PubChem CID 103528920) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-2-methoxypropanamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-2-methoxypropanamide
PubChem CID103528920
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-hex-1-yn-3-yl-2-methoxypropanamide
SMILESC#CC(CCC)NC(=O)C(C)OC
InChIInChI=1S/C10H17NO2/c1-5-7-9(6-2)11-10(12)8(3)13-4/h2,8-9H,5,7H2,1,3-4H3,(H,11,12)
InChIKeyFUWRWCPVMZXFOY-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-yn-3-yl-2-sulfanylpropanamide
CID 106229841
(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
CID 106230696
(2S)-2-amino-N-hex-1-yn-3-ylhexanamide
CID 106230639
2-(hex-1-yn-3-ylamino)-2-oxoacetic acid
CID 106232888
3-(2-methylpentanoylamino)pent-4-ynoic acid
CID 138583566
(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide
CID 106230687
N-hex-1-yn-3-yl-4-hydroxybutanamide
CID 106233004
(2S)-2-(hex-1-yn-3-ylcarbamoylamino)pentanoic acid
CID 106232541
N-hex-1-yn-3-ylcyclobutanecarboxamide
CID 103528729
methyl (3S)-3-(2-methylnonanoylamino)pent-4-ynoate
CID 135200384
ethyl 2-(hex-1-yn-3-ylcarbamoylamino)acetate
CID 103528288
2-[hex-1-yn-3-ylcarbamoyl(propan-2-yl)amino]acetic acid
CID 106232378

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-2-methoxypropanamide?
The IUPAC name of N-hex-1-yn-3-yl-2-methoxypropanamide (CID 103528920) is N-hex-1-yn-3-yl-2-methoxypropanamide.
What is the SMILES notation for N-hex-1-yn-3-yl-2-methoxypropanamide?
The canonical SMILES for N-hex-1-yn-3-yl-2-methoxypropanamide is C#CC(CCC)NC(=O)C(C)OC.
What is the InChIKey of N-hex-1-yn-3-yl-2-methoxypropanamide?
The InChIKey is FUWRWCPVMZXFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-7-9(6-2)11-10(12)8(3)13-4/h2,8-9H,5,7H2,1,3-4H3,(H,11,12).
What are the key properties of N-hex-1-yn-3-yl-2-methoxypropanamide?
N-hex-1-yn-3-yl-2-methoxypropanamide has a molecular weight of 183.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-2-methoxypropanamide is sourced from PubChem (CID 103528920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).