2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide

C16H24N2O2 — CID 79805127

IUPAC2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide
SMILESC=CCOc1ccc(CN(C)C(=O)C(C)(N)CC)cc1
InChIInChI=1S/C16H24N2O2/c1-5-11-20-14-9-7-13(8-10-14)12-18(4)15(19)16(3,17)6-2/h5,7-10H,1,6,11-12,17H2,2-4H3
InChIKeyGQQDIKIKSOYINN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds7

About 2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide

2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide (PubChem CID 79805127) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide
PubChem CID79805127
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide
SMILESC=CCOc1ccc(CN(C)C(=O)C(C)(N)CC)cc1
InChIInChI=1S/C16H24N2O2/c1-5-11-20-14-9-7-13(8-10-14)12-18(4)15(19)16(3,17)6-2/h5,7-10H,1,6,11-12,17H2,2-4H3
InChIKeyGQQDIKIKSOYINN-UHFFFAOYSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 60636038
(2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide
CID 103830978
2-hydroxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 31180128
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46577740
2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 79810054
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 79797348
5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide
CID 104684286
4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 61114285
2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119681313
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269943
ethyl N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]carbamate
CID 9167602

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide?
The IUPAC name of 2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide (CID 79805127) is 2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide is C=CCOc1ccc(CN(C)C(=O)C(C)(N)CC)cc1.
What is the InChIKey of 2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide?
The InChIKey is GQQDIKIKSOYINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-11-20-14-9-7-13(8-10-14)12-18(4)15(19)16(3,17)6-2/h5,7-10H,1,6,11-12,17H2,2-4H3.
What are the key properties of 2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide?
2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide is sourced from PubChem (CID 79805127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).