(1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide

C17H21N3O3 — CID 174804503

IUPAC(1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide
SMILESC[C@@H](N)[C@@H](O)c1ccccc1.NC(=O)c1ccccc1C(N)=O
InChIInChI=1S/C9H13NO.C8H8N2O2/c1-7(10)9(11)8-5-3-2-4-6-8;9-7(11)5-3-1-2-4-6(5)8(10)12/h2-7,9,11H,10H2,1H3;1-4H,(H2,9,11)(H2,10,12)/t7-,9-;/m1./s1
InChIKeyXWDHRXQIEZFIFR-PRCZDLBKSA-N
MW315.37 g/mol
LogP0.95
Rot. Bonds4

About (1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide

(1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide (PubChem CID 174804503) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide
PubChem CID174804503
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide
SMILESC[C@@H](N)[C@@H](O)c1ccccc1.NC(=O)c1ccccc1C(N)=O
InChIInChI=1S/C9H13NO.C8H8N2O2/c1-7(10)9(11)8-5-3-2-4-6-8;9-7(11)5-3-1-2-4-6(5)8(10)12/h2-7,9,11H,10H2,1H3;1-4H,(H2,9,11)(H2,10,12)/t7-,9-;/m1./s1
InChIKeyXWDHRXQIEZFIFR-PRCZDLBKSA-N
XLogP0.95
TPSA132.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1R,2S)-2-amino-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid
CID 76960503
(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid
CID 118541105
2-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68956962
(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
CID 69186898
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
acetyl chloride;(1R,2S)-2-amino-1-phenylpropan-1-ol;N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide
CID 165079516
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
(1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride
CID 76974285
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide?
The IUPAC name of (1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide (CID 174804503) is (1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide.
What is the SMILES notation for (1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide?
The canonical SMILES for (1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide is C[C@@H](N)[C@@H](O)c1ccccc1.NC(=O)c1ccccc1C(N)=O.
What is the InChIKey of (1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide?
The InChIKey is XWDHRXQIEZFIFR-PRCZDLBKSA-N. The full InChI is InChI=1S/C9H13NO.C8H8N2O2/c1-7(10)9(11)8-5-3-2-4-6-8;9-7(11)5-3-1-2-4-6(5)8(10)12/h2-7,9,11H,10H2,1H3;1-4H,(H2,9,11)(H2,10,12)/t7-,9-;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide?
(1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide is sourced from PubChem (CID 174804503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).