(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide

C18H22N2O2 — CID 119286412

IUPAC(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14(19)18(21)20-11-15-7-9-17(10-8-15)13-22-12-16-5-3-2-4-6-16/h2-10,14H,11-13,19H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyTXBABNMHGPKFNE-CQSZACIVSA-N
MW298.39 g/mol
LogP2.37
Rot. Bonds7

About (2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide

(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide (PubChem CID 119286412) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
PubChem CID119286412
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-14(19)18(21)20-11-15-7-9-17(10-8-15)13-22-12-16-5-3-2-4-6-16/h2-10,14H,11-13,19H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyTXBABNMHGPKFNE-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-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119286541
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2,3-diamino-N-benzylbutanamide
CID 143155055
benzyl 2-[[[(2S)-2-aminopropanoyl]amino]methoxy]acetate
CID 172594651
(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
CID 119335271

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide (CID 119286412) is (2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide is C[C@@H](N)C(=O)NCc1ccc(COCc2ccccc2)cc1.
What is the InChIKey of (2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is TXBABNMHGPKFNE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(19)18(21)20-11-15-7-9-17(10-8-15)13-22-12-16-5-3-2-4-6-16/h2-10,14H,11-13,19H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide?
(2R)-2-amino-N-[[4-(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-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 119286412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).