N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide

C11H16N2O3 — CID 54455314

IUPACN-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide
SMILESNCC(O)COc1ccc(CNC=O)cc1
InChIInChI=1S/C11H16N2O3/c12-5-10(15)7-16-11-3-1-9(2-4-11)6-13-8-14/h1-4,8,10,15H,5-7,12H2,(H,13,14)
InChIKeyWXUPDUMGENFTNA-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.37
Rot. Bonds7

About N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide

N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide (PubChem CID 54455314) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide
PubChem CID54455314
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide
SMILESNCC(O)COc1ccc(CNC=O)cc1
InChIInChI=1S/C11H16N2O3/c12-5-10(15)7-16-11-3-1-9(2-4-11)6-13-8-14/h1-4,8,10,15H,5-7,12H2,(H,13,14)
InChIKeyWXUPDUMGENFTNA-UHFFFAOYSA-N
XLogP-0.37
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-amino-3-[4-[[4-[(2S)-3-amino-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 34178474
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol
CID 30078485
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
1-(2-aminoethylamino)-3-[4-[[4-[3-(2-aminoethylamino)-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 126581077
3-[4-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 82850377
1-amino-3-[4-(2-methylsulfanylethoxy)phenoxy]propan-2-ol
CID 71364966
(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 9159137
1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol
CID 118016842
(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 9159184
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide?
The IUPAC name of N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide (CID 54455314) is N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide.
What is the SMILES notation for N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide?
The canonical SMILES for N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide is NCC(O)COc1ccc(CNC=O)cc1.
What is the InChIKey of N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide?
The InChIKey is WXUPDUMGENFTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-5-10(15)7-16-11-3-1-9(2-4-11)6-13-8-14/h1-4,8,10,15H,5-7,12H2,(H,13,14).
What are the key properties of N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide?
N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide has a molecular weight of 224.26 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide is sourced from PubChem (CID 54455314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).