N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide

C17H26N2O3 — CID 96525041

IUPACN-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
SMILESCOc1ccccc1C[C@H](NC(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C17H26N2O3/c1-13(2)15(12-14-6-4-5-7-16(14)21-3)18-17(20)19-8-10-22-11-9-19/h4-7,13,15H,8-12H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyFBEHTIKNMHZECT-HNNXBMFYSA-N
MW306.41 g/mol
LogP2.30
Rot. Bonds5

About N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide (PubChem CID 96525041) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
PubChem CID96525041
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
SMILESCOc1ccccc1C[C@H](NC(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C17H26N2O3/c1-13(2)15(12-14-6-4-5-7-16(14)21-3)18-17(20)19-8-10-22-11-9-19/h4-7,13,15H,8-12H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKeyFBEHTIKNMHZECT-HNNXBMFYSA-N
XLogP2.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
CID 71864458
1-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004989
(2S)-2-(hydroxymethyl)-N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
CID 111631491
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119813108
1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 56798078
5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685825
N-(1-amino-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 79155057
1-(3-hydroxypropyl)-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
CID 111631495
1-(3-hydroxybutyl)-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
CID 111631499
1-[(1-hydroxycyclobutyl)methyl]-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
CID 111631492
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide (CID 96525041) is N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide is COc1ccccc1C[C@H](NC(=O)N1CCOCC1)C(C)C.
What is the InChIKey of N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide?
The InChIKey is FBEHTIKNMHZECT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(2)15(12-14-6-4-5-7-16(14)21-3)18-17(20)19-8-10-22-11-9-19/h4-7,13,15H,8-12H2,1-3H3,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 96525041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).