N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide

C18H18N2O2 — CID 110001950

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-12-17(14-9-5-6-10-15(14)19-12)18(22)20-16(11-21)13-7-3-2-4-8-13/h2-10,16,19,21H,11H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyPKZVVHCSFWDSII-MRXNPFEDSA-N
MW294.35 g/mol
LogP2.94
Rot. Bonds4

About N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide (PubChem CID 110001950) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
PubChem CID110001950
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-12-17(14-9-5-6-10-15(14)19-12)18(22)20-16(11-21)13-7-3-2-4-8-13/h2-10,16,19,21H,11H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyPKZVVHCSFWDSII-MRXNPFEDSA-N
XLogP2.94
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55159643
5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid
CID 82845531
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576
3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960
2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide
CID 32579620
2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 106107981
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
CID 63184679
N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 103944574

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide (CID 110001950) is N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide?
The InChIKey is PKZVVHCSFWDSII-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-17(14-9-5-6-10-15(14)19-12)18(22)20-16(11-21)13-7-3-2-4-8-13/h2-10,16,19,21H,11H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110001950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).