N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide

C11H14N2O2 — CID 118883103

IUPACN-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide
SMILESC=C(O)Nc1cccc(CNC(C)=O)c1
InChIInChI=1S/C11H14N2O2/c1-8(14)12-7-10-4-3-5-11(6-10)13-9(2)15/h3-6,13,15H,2,7H2,1H3,(H,12,14)
InChIKeyKPPZVFSSHRESNN-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.76
Rot. Bonds4

About N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide

N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide (PubChem CID 118883103) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide
PubChem CID118883103
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide
SMILESC=C(O)Nc1cccc(CNC(C)=O)c1
InChIInChI=1S/C11H14N2O2/c1-8(14)12-7-10-4-3-5-11(6-10)13-9(2)15/h3-6,13,15H,2,7H2,1H3,(H,12,14)
InChIKeyKPPZVFSSHRESNN-UHFFFAOYSA-N
XLogP1.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
[3-(2-acetamidoethyl)phenyl]carbamic acid
CID 69174088
N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274
[3-[(prop-2-enoylamino)methyl]phenyl]carbamic acid
CID 138682583
N-[(3-acetamidophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119706295
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]acetamide;hydroiodide
CID 110915530
N-[[3-[[3-(acetamidomethyl)phenyl]disulfanyl]phenyl]methyl]acetamide
CID 118256362
[3-(acetamidomethyl)phenyl]-methyltin
CID 59658577
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86931986
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]acetamide
CID 111134733
(2S)-N-[(3-acetamidophenyl)methyl]-2-methoxy-2-phenylpropanamide
CID 95614299

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide?
The IUPAC name of N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide (CID 118883103) is N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide is C=C(O)Nc1cccc(CNC(C)=O)c1.
What is the InChIKey of N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide?
The InChIKey is KPPZVFSSHRESNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(14)12-7-10-4-3-5-11(6-10)13-9(2)15/h3-6,13,15H,2,7H2,1H3,(H,12,14).
What are the key properties of N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide?
N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide has a molecular weight of 206.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 118883103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).