3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide

C16H18N2O2 — CID 100803507

IUPAC3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1N
InChIInChI=1S/C16H18N2O2/c1-10-3-4-13(9-15(10)17)16(20)18-14-7-5-12(6-8-14)11(2)19/h3-9,11,19H,17H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyVIWMUTAXFBNPKN-LLVKDONJSA-N
MW270.33 g/mol
LogP2.88
Rot. Bonds3

About 3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide

3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide (PubChem CID 100803507) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
PubChem CID100803507
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1N
InChIInChI=1S/C16H18N2O2/c1-10-3-4-13(9-15(10)17)16(20)18-14-7-5-12(6-8-14)11(2)19/h3-9,11,19H,17H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyVIWMUTAXFBNPKN-LLVKDONJSA-N
XLogP2.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide
CID 43699005
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
CID 93040828
3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
CID 28723656
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
CID 102704929
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 93040826
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide (CID 100803507) is 3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1N.
What is the InChIKey of 3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide?
The InChIKey is VIWMUTAXFBNPKN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-3-4-13(9-15(10)17)16(20)18-14-7-5-12(6-8-14)11(2)19/h3-9,11,19H,17H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide?
3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 100803507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).