N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide

C15H22N2O2 — CID 54935293

IUPACN,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
SMILESC=CCOc1ccccc1CNCCC(=O)N(C)C
InChIInChI=1S/C15H22N2O2/c1-4-11-19-14-8-6-5-7-13(14)12-16-10-9-15(18)17(2)3/h4-8,16H,1,9-12H2,2-3H3
InChIKeyYGPHRWKNOIWRIX-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.82
Rot. Bonds8

About N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide

N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide (PubChem CID 54935293) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
PubChem CID54935293
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
SMILESC=CCOc1ccccc1CNCCC(=O)N(C)C
InChIInChI=1S/C15H22N2O2/c1-4-11-19-14-8-6-5-7-13(14)12-16-10-9-15(18)17(2)3/h4-8,16H,1,9-12H2,2-3H3
InChIKeyYGPHRWKNOIWRIX-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-prop-2-enoxyphenyl)methylamino]butanamide
CID 60865208
N-propan-2-yl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 115581406
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
2-[(2-prop-2-enoxyphenyl)methylamino]ethyl carbamate
CID 83211974
N'-methyl-N'-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]ethane-1,2-diamine
CID 55097704
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
2-[[N'-benzyl-N-[(2-prop-2-enoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111556157
3-[methyl-[(2-prop-2-enoxyphenyl)methylcarbamoyl]amino]propanoic acid
CID 122001720
3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925933
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
N-[(2-prop-2-enoxyphenyl)methyl]but-2-yn-1-amine
CID 115866301

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide (CID 54935293) is N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide is C=CCOc1ccccc1CNCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide?
The InChIKey is YGPHRWKNOIWRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-11-19-14-8-6-5-7-13(14)12-16-10-9-15(18)17(2)3/h4-8,16H,1,9-12H2,2-3H3.
What are the key properties of N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide?
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 54935293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).