2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide

C19H24N2O3 — CID 70386564

IUPAC2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
SMILESC[C@H](CCc1ccccc1)NC[C@H](O)Oc1ccccc1C(N)=O
InChIInChI=1S/C19H24N2O3/c1-14(11-12-15-7-3-2-4-8-15)21-13-18(22)24-17-10-6-5-9-16(17)19(20)23/h2-10,14,18,21-22H,11-13H2,1H3,(H2,20,23)/t14-,18-/m1/s1
InChIKeyVYMHLEXSOGDHRT-RDTXWAMCSA-N
MW328.41 g/mol
LogP2.09
Rot. Bonds9

About 2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide

2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide (PubChem CID 70386564) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide.

Molecular Properties

Compound Name2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
PubChem CID70386564
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
SMILESC[C@H](CCc1ccccc1)NC[C@H](O)Oc1ccccc1C(N)=O
InChIInChI=1S/C19H24N2O3/c1-14(11-12-15-7-3-2-4-8-15)21-13-18(22)24-17-10-6-5-9-16(17)19(20)23/h2-10,14,18,21-22H,11-13H2,1H3,(H2,20,23)/t14-,18-/m1/s1
InChIKeyVYMHLEXSOGDHRT-RDTXWAMCSA-N
XLogP2.09
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-hydroxy-2-[[(1R)-2-methyl-1,4-diphenylbutyl]amino]ethoxy]benzamide
CID 70583248
methyl 2-[2-hydroxy-3-(4-phenylbutan-2-ylamino)propoxy]benzoate
CID 15572779
5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide
CID 21488926
2-(2,3-dihydroxypropoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 21488921
2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
CID 21488915
2-(2-carbamoylphenoxy)-3-methylbutanoic acid
CID 18073009
2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 65037471
2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide
CID 13424634
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
2-(1-fluoroethoxy)benzamide
CID 57150200
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631
methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate
CID 101200785

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide?
The IUPAC name of 2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide (CID 70386564) is 2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide.
What is the SMILES notation for 2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide?
The canonical SMILES for 2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide is C[C@H](CCc1ccccc1)NC[C@H](O)Oc1ccccc1C(N)=O.
What is the InChIKey of 2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide?
The InChIKey is VYMHLEXSOGDHRT-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(11-12-15-7-3-2-4-8-15)21-13-18(22)24-17-10-6-5-9-16(17)19(20)23/h2-10,14,18,21-22H,11-13H2,1H3,(H2,20,23)/t14-,18-/m1/s1.
What are the key properties of 2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide?
2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide has a molecular weight of 328.41 g/mol, XLogP of 2.09, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide is sourced from PubChem (CID 70386564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).