N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide

C14H22N2O2 — CID 166490078

IUPACN-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide
SMILESCC(C)(C)OCc1ccc(N)cc1CCNC=O
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-9-12-4-5-13(15)8-11(12)6-7-16-10-17/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyWQQJCLKIJQHDES-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds6

About N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide

N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide (PubChem CID 166490078) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide
PubChem CID166490078
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide
SMILESCC(C)(C)OCc1ccc(N)cc1CCNC=O
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-9-12-4-5-13(15)8-11(12)6-7-16-10-17/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyWQQJCLKIJQHDES-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(1S)-1-(4-fluorophenyl)-5-isocyano-3H-2-benzofuran-1-yl]propyl]formamide
CID 57548679
N-[1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]formamide
CID 57603459
[4-Formamido-2-(trifluoromethyl)phenyl]methyl acetate
CID 130182477
[4-amino-2-(trifluoromethyl)phenyl]methyl N-methylcarbamate
CID 134564660
4-[(2-Methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)aniline
CID 81117656
4-(2-Methylbutan-2-yloxymethyl)-3-(trifluoromethyl)aniline
CID 81117769
4-[(3-Methoxy-3-methylbutoxy)methyl]-3-(trifluoromethyl)aniline
CID 106665122
N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide
CID 145467542
N-[4-(dimethoxymethyl)-3-(trifluoromethyl)phenyl]formamide
CID 168651283
benzyl N-[3-(4-amino-5-fluoro-2-methylphenyl)prop-2-enyl]carbamate
CID 169471602
benzyl N-[4-(4-amino-5-fluoro-2-methylphenyl)but-3-enyl]carbamate
CID 170494033
benzyl N-[4-[5-amino-2-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170494671

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide?
The IUPAC name of N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide (CID 166490078) is N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide.
What is the SMILES notation for N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide?
The canonical SMILES for N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide is CC(C)(C)OCc1ccc(N)cc1CCNC=O.
What is the InChIKey of N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide?
The InChIKey is WQQJCLKIJQHDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-9-12-4-5-13(15)8-11(12)6-7-16-10-17/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide?
N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide has a molecular weight of 250.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-amino-2-[(2-methylpropan-2-yl)oxymethyl]phenyl]ethyl]formamide is sourced from PubChem (CID 166490078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).