N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide

C16H24N2O2 — CID 115621888

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

About N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide

N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide (PubChem CID 115621888) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide
PubChem CID115621888
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide
SMILESC=CCOc1ccc(CNCC(=O)NCC(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-4-9-20-15-7-5-14(6-8-15)11-17-12-16(19)18-10-13(2)3/h4-8,13,17H,1,9-12H2,2-3H3,(H,18,19)
InChIKeyTUYDEYXTCCUHGG-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide
CID 115586624
2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide
CID 28651449
1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290477
2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263785
2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927
[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 2613498
N-(2-methylpropyl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]acetamide
CID 115621832
tert-butyl N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]carbamate
CID 103740145
N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide
CID 43573850
3-methylsulfinyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 115711701
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63062886

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide (CID 115621888) is N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide is C=CCOc1ccc(CNCC(=O)NCC(C)C)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide?
The InChIKey is TUYDEYXTCCUHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-9-20-15-7-5-14(6-8-15)11-17-12-16(19)18-10-13(2)3/h4-8,13,17H,1,9-12H2,2-3H3,(H,18,19).
What are the key properties of N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide?
N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide 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 N-(2-methylpropyl)-2-[(4-prop-2-enoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 115621888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).