2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide

C14H26N2O3 — CID 119802931

IUPAC2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide
SMILESO=C(CNCC1CC1)NCCCOC1CCOCC1
InChIInChI=1S/C14H26N2O3/c17-14(11-15-10-12-2-3-12)16-6-1-7-19-13-4-8-18-9-5-13/h12-13,15H,1-11H2,(H,16,17)
InChIKeySMAIIXDULROEDK-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.69
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide

2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide (PubChem CID 119802931) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide
PubChem CID119802931
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide
SMILESO=C(CNCC1CC1)NCCCOC1CCOCC1
InChIInChI=1S/C14H26N2O3/c17-14(11-15-10-12-2-3-12)16-6-1-7-19-13-4-8-18-9-5-13/h12-13,15H,1-11H2,(H,16,17)
InChIKeySMAIIXDULROEDK-UHFFFAOYSA-N
XLogP0.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexyloxyethyl)-2-(cyclopropylmethylamino)acetamide
CID 63826704
2-(cyclopropylmethylamino)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 106310701
2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556
N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 79286966
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
N-[3-(oxan-4-yloxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334633
N-[3-(oxan-4-yloxy)propyl]piperidine-2-carboxamide
CID 119334628
N-(3-piperidin-4-yloxypropyl)oxane-4-carboxamide
CID 63871444
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575
N'-methyl-N-[3-(oxan-4-yloxy)propyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442809
N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]cyclobutanecarboxamide;hydrochloride
CID 119809335

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide (CID 119802931) is 2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide is O=C(CNCC1CC1)NCCCOC1CCOCC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide?
The InChIKey is SMAIIXDULROEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c17-14(11-15-10-12-2-3-12)16-6-1-7-19-13-4-8-18-9-5-13/h12-13,15H,1-11H2,(H,16,17).
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide?
2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide has a molecular weight of 270.37 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(oxan-4-yloxy)propyl]acetamide is sourced from PubChem (CID 119802931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).