N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide

C19H23N3O4 — CID 70069895

IUPACN'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide
SMILESCC(N)C(O)NC(=O)C(C(N)=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O4/c1-12(20)18(24)22-19(25)16(17(21)23)14-7-9-15(10-8-14)26-11-13-5-3-2-4-6-13/h2-10,12,16,18,24H,11,20H2,1H3,(H2,21,23)(H,22,25)
InChIKeyBJWPGVNKQYQGAC-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.62
Rot. Bonds8

About N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide

N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide (PubChem CID 70069895) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide
PubChem CID70069895
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide
SMILESCC(N)C(O)NC(=O)C(C(N)=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O4/c1-12(20)18(24)22-19(25)16(17(21)23)14-7-9-15(10-8-14)26-11-13-5-3-2-4-6-13/h2-10,12,16,18,24H,11,20H2,1H3,(H2,21,23)(H,22,25)
InChIKeyBJWPGVNKQYQGAC-UHFFFAOYSA-N
XLogP0.62
TPSA127.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(1S)-1-(4-phenylmethoxyphenyl)propyl]butanamide
CID 140974460
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
benzyl N-[(2R)-1-hydroxy-3-methyl-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
CID 11750488
methyl 3-hydroxy-4-methyl-2-[1-(4-phenylmethoxyphenyl)ethyl]pentanoate
CID 67666709
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 18443703
methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894
methyl 3-hydroxy-4-methyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pentanoate
CID 67666710
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
(3R)-3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 96839766
2-(4-phenylmethoxyphenyl)pentanediamide
CID 20546418

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide?
The IUPAC name of N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide (CID 70069895) is N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide.
What is the SMILES notation for N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide?
The canonical SMILES for N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide is CC(N)C(O)NC(=O)C(C(N)=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide?
The InChIKey is BJWPGVNKQYQGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(20)18(24)22-19(25)16(17(21)23)14-7-9-15(10-8-14)26-11-13-5-3-2-4-6-13/h2-10,12,16,18,24H,11,20H2,1H3,(H2,21,23)(H,22,25).
What are the key properties of N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide?
N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide has a molecular weight of 357.41 g/mol, XLogP of 0.62, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-1-hydroxypropyl)-2-(4-phenylmethoxyphenyl)propanediamide is sourced from PubChem (CID 70069895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).