2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide

C12H24N2O3 — CID 106401726

IUPAC2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide
SMILESC=CCCOCCNCC(=O)NC(C)COC
InChIInChI=1S/C12H24N2O3/c1-4-5-7-17-8-6-13-9-12(15)14-11(2)10-16-3/h4,11,13H,1,5-10H2,2-3H3,(H,14,15)
InChIKeyCQPVVOHPYJYALZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.32
Rot. Bonds11

About 2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide

2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 106401726) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID106401726
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide
SMILESC=CCCOCCNCC(=O)NC(C)COC
InChIInChI=1S/C12H24N2O3/c1-4-5-7-17-8-6-13-9-12(15)14-11(2)10-16-3/h4,11,13H,1,5-10H2,2-3H3,(H,14,15)
InChIKeyCQPVVOHPYJYALZ-UHFFFAOYSA-N
XLogP0.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid
CID 43473540
methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401667
2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 106401580
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119784608
2-(2,2-difluoroethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115406791
methyl 3-(2-but-3-enoxyethylamino)butanoate
CID 103952227
N-(1-methoxypropan-2-yl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
CID 60697071
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
CID 106402035
N-(1-methoxypropan-2-yl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723999
N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine
CID 103852873
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide (CID 106401726) is 2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide is C=CCCOCCNCC(=O)NC(C)COC.
What is the InChIKey of 2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is CQPVVOHPYJYALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-5-7-17-8-6-13-9-12(15)14-11(2)10-16-3/h4,11,13H,1,5-10H2,2-3H3,(H,14,15).
What are the key properties of 2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide?
2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 244.33 g/mol, XLogP of 0.32, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enoxyethylamino)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 106401726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).