N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide

C13H18N2O — CID 20518349

IUPACN-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
SMILESC=C(C)CNCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H18N2O/c1-10(2)8-14-9-12-4-6-13(7-5-12)15-11(3)16/h4-7,14H,1,8-9H2,2-3H3,(H,15,16)
InChIKeyDQLDDATWIYZVNF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.31
Rot. Bonds5

About N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide

N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide (PubChem CID 20518349) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
PubChem CID20518349
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
SMILESC=C(C)CNCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H18N2O/c1-10(2)8-14-9-12-4-6-13(7-5-12)15-11(3)16/h4-7,14H,1,8-9H2,2-3H3,(H,15,16)
InChIKeyDQLDDATWIYZVNF-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 54838346
N-[4-(2-methylprop-2-enyl)phenyl]acetamide
CID 89105480
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine
CID 62331333
N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 79352344
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 115594062
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
N-[4-[(2-cyanopropylamino)methyl]phenyl]acetamide
CID 55101214

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide (CID 20518349) is N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide is C=C(C)CNCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide?
The InChIKey is DQLDDATWIYZVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(2)8-14-9-12-4-6-13(7-5-12)15-11(3)16/h4-7,14H,1,8-9H2,2-3H3,(H,15,16).
What are the key properties of N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide?
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide has a molecular weight of 218.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 20518349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).