4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide

C17H20N2O2 — CID 95765057

IUPAC4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@H](CO)NC(=O)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13(12-20)19-17(21)15-7-9-16(10-8-15)18-11-14-5-3-2-4-6-14/h2-10,13,18,20H,11-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyJPUMTQYHMWCRGB-CYBMUJFWSA-N
MW284.36 g/mol
LogP2.41
Rot. Bonds6

About 4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide

4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide (PubChem CID 95765057) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
PubChem CID95765057
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@H](CO)NC(=O)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13(12-20)19-17(21)15-7-9-16(10-8-15)18-11-14-5-3-2-4-6-14/h2-10,13,18,20H,11-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyJPUMTQYHMWCRGB-CYBMUJFWSA-N
XLogP2.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzylamino)-N-(1-hydroxypropan-2-yl)-3-nitrobenzamide
CID 110887436
4-[(2,5-difluorophenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzamide
CID 111970105
4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79027939
N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78856906
[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443
N-[(2S)-1-hydroxypropan-2-yl]-4-(quinolin-8-ylmethylamino)benzamide
CID 97221268
N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide
CID 111113250
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 61251276
1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
CID 78857241

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
The IUPAC name of 4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide (CID 95765057) is 4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for 4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
The canonical SMILES for 4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide is C[C@H](CO)NC(=O)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of 4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
The InChIKey is JPUMTQYHMWCRGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(12-20)19-17(21)15-7-9-16(10-8-15)18-11-14-5-3-2-4-6-14/h2-10,13,18,20H,11-12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 95765057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).