2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide

C19H22N2O3 — CID 13424634

IUPAC2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide
SMILESC[C@H](CCc1ccccc1)NCC(=O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H22N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,21-22H,7-8,12H2,1H3,(H2,20,24)/t13-/m1/s1
InChIKeyBHKMAOIKHVZJCC-CYBMUJFWSA-N
MW326.40 g/mol
LogP2.28
Rot. Bonds8

About 2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide

2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide (PubChem CID 13424634) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide
PubChem CID13424634
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide
SMILESC[C@H](CCc1ccccc1)NCC(=O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H22N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,21-22H,7-8,12H2,1H3,(H2,20,24)/t13-/m1/s1
InChIKeyBHKMAOIKHVZJCC-CYBMUJFWSA-N
XLogP2.28
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 12814758
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide
CID 70021190
5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 12814711
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide
CID 103600369
2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
CID 13116906
[(2S)-2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]-[(2S)-4-phenylbutan-2-yl]azanium
CID 41097888
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethoxy]benzamide
CID 70386564
5-(2-chloroacetyl)-2-hydroxybenzamide
CID 12595689

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide?
The IUPAC name of 2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide (CID 13424634) is 2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide?
The canonical SMILES for 2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide is C[C@H](CCc1ccccc1)NCC(=O)c1ccc(O)c(C(N)=O)c1.
What is the InChIKey of 2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide?
The InChIKey is BHKMAOIKHVZJCC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,21-22H,7-8,12H2,1H3,(H2,20,24)/t13-/m1/s1.
What are the key properties of 2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide?
2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide is sourced from PubChem (CID 13424634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).