2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide

C16H24N2O2 — CID 28651449

IUPAC2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide
SMILESC=CCOc1ccc(CNCCNC(=O)C(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-4-11-20-15-7-5-14(6-8-15)12-17-9-10-18-16(19)13(2)3/h4-8,13,17H,1,9-12H2,2-3H3,(H,18,19)
InChIKeyLPUFVZFGKNSJGJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds9

About 2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide

2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide (PubChem CID 28651449) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide
PubChem CID28651449
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide
SMILESC=CCOc1ccc(CNCCNC(=O)C(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-4-11-20-15-7-5-14(6-8-15)12-17-9-10-18-16(19)13(2)3/h4-8,13,17H,1,9-12H2,2-3H3,(H,18,19)
InChIKeyLPUFVZFGKNSJGJ-UHFFFAOYSA-N
XLogP2.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
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

tert-butyl N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]carbamate
CID 103740145
N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide
CID 115621888
3-methylsulfinyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 115711701
1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290477
N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol
CID 61237649
2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 4718833
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide
CID 43573850
N',N'-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17293221
4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 115600231
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide (CID 28651449) is 2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide is C=CCOc1ccc(CNCCNC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide?
The InChIKey is LPUFVZFGKNSJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-11-20-15-7-5-14(6-8-15)12-17-9-10-18-16(19)13(2)3/h4-8,13,17H,1,9-12H2,2-3H3,(H,18,19).
What are the key properties of 2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide?
2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide is sourced from PubChem (CID 28651449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).