(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide

C18H22N2O2 — CID 119286428

IUPAC(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(19)18(21)20-11-16-9-5-6-10-17(16)13-22-12-15-7-3-2-4-8-15/h2-10,14H,11-13,19H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyVTJLTZSYSOPFEO-CQSZACIVSA-N
MW298.39 g/mol
LogP2.37
Rot. Bonds7

About (2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide

(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide (PubChem CID 119286428) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
PubChem CID119286428
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(19)18(21)20-11-16-9-5-6-10-17(16)13-22-12-15-7-3-2-4-8-15/h2-10,14H,11-13,19H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyVTJLTZSYSOPFEO-CQSZACIVSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286412
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-sulfamoylpropanamide
CID 154868821
methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate
CID 97019366
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286417
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119286568
4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588541
2-amino-N-[(2-iodophenyl)methyl]propanamide
CID 77144463
1-(2-hydroxyethyl)-3-[[2-(phenylmethoxymethyl)phenyl]methyl]urea
CID 110894223
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide (CID 119286428) is (2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide is C[C@@H](N)C(=O)NCc1ccccc1COCc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is VTJLTZSYSOPFEO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(19)18(21)20-11-16-9-5-6-10-17(16)13-22-12-15-7-3-2-4-8-15/h2-10,14H,11-13,19H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide?
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 119286428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).