2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide

C13H22N2O2 — CID 114112865

IUPAC2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC1(CCOC)CC1
InChIInChI=1S/C13H22N2O2/c1-4-8-14-12(16)11(2)15-10-13(5-6-13)7-9-17-3/h1,11,15H,5-10H2,2-3H3,(H,14,16)
InChIKeyZIXWSHUYVXRUEK-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.53
Rot. Bonds8

About 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide

2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide (PubChem CID 114112865) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide
PubChem CID114112865
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCC1(CCOC)CC1
InChIInChI=1S/C13H22N2O2/c1-4-8-14-12(16)11(2)15-10-13(5-6-13)7-9-17-3/h1,11,15H,5-10H2,2-3H3,(H,14,16)
InChIKeyZIXWSHUYVXRUEK-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
CID 114112889
N-butan-2-yl-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]propanamide
CID 114112877
2-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]propanamide
CID 103799994
2-[(1-cyclopropylcyclopropyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 114095883
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide
CID 103966438
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65109266
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-propan-2-yloxyacetamide
CID 103800058
2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide
CID 115663958
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentanamide
CID 103950711
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
CID 113313239

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide (CID 114112865) is 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NCC1(CCOC)CC1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide?
The InChIKey is ZIXWSHUYVXRUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-8-14-12(16)11(2)15-10-13(5-6-13)7-9-17-3/h1,11,15H,5-10H2,2-3H3,(H,14,16).
What are the key properties of 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide?
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 114112865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).