N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide

C16H18N2O3 — CID 126500170

IUPACN-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide
SMILESNCC(O)c1ccc(OCc2ccccc2)c(NC=O)c1
InChIInChI=1S/C16H18N2O3/c17-9-15(20)13-6-7-16(14(8-13)18-11-19)21-10-12-4-2-1-3-5-12/h1-8,11,15,20H,9-10,17H2,(H,18,19)
InChIKeyDKLAUBTXXNWDQV-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.83
Rot. Bonds7

About N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide

N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide (PubChem CID 126500170) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide.

Molecular Properties

Compound NameN-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide
PubChem CID126500170
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide
SMILESNCC(O)c1ccc(OCc2ccccc2)c(NC=O)c1
InChIInChI=1S/C16H18N2O3/c17-9-15(20)13-6-7-16(14(8-13)18-11-19)21-10-12-4-2-1-3-5-12/h1-8,11,15,20H,9-10,17H2,(H,18,19)
InChIKeyDKLAUBTXXNWDQV-UHFFFAOYSA-N
XLogP1.83
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.83
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

(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
2-[(3S)-1-[9-[[(2S)-2-(3-formamido-4-phenylmethoxyphenyl)-2-hydroxyethyl]amino]nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 87181362
N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 173182413
N-[5-[2-[2-[4-[2-(1-adamantyl)ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide
CID 90780049
(1R)-2-amino-1-[3,5-bis(phenylmethoxy)phenyl]ethanol;(1R)-2-amino-1-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethanol
CID 158431070
3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 142645838
N-[5-[(1R)-2-(dibenzylamino)-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]formamide
CID 86606168
3-[3-[6-[[(2R)-2-(3-formamido-4-phenylmethoxyphenyl)-2-hydroxyethyl]amino]hexoxy]propyl-methylamino]benzamide
CID 87407706
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol
CID 23191762
(1R)-1-[3,4-bis(phenylmethoxy)phenyl]-2-nitroethanol
CID 15313691
N-[5-[(1R)-2-[N-benzyl-4-(4-morpholin-4-ylsulfonylanilino)anilino]-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide;N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide;methane
CID 161485408

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide?
The IUPAC name of N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide (CID 126500170) is N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide.
What is the SMILES notation for N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide?
The canonical SMILES for N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide is NCC(O)c1ccc(OCc2ccccc2)c(NC=O)c1.
What is the InChIKey of N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide?
The InChIKey is DKLAUBTXXNWDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-9-15(20)13-6-7-16(14(8-13)18-11-19)21-10-12-4-2-1-3-5-12/h1-8,11,15,20H,9-10,17H2,(H,18,19).
What are the key properties of N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide?
N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide has a molecular weight of 286.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-1-hydroxyethyl)-2-phenylmethoxyphenyl]formamide is sourced from PubChem (CID 126500170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).