N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

C21H29N3O3 — CID 51953800

IUPACN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n1
InChIInChI=1S/C21H29N3O3/c1-15(13-24-17(3)11-16(2)23-24)12-22-21(25)18-6-8-19(9-7-18)27-14-20-5-4-10-26-20/h6-9,11,15,20H,4-5,10,12-14H2,1-3H3,(H,22,25)/t15-,20+/m1/s1
InChIKeyDLIWNPRSQKNTGG-QRWLVFNGSA-N
MW371.48 g/mol
LogP3.12
Rot. Bonds8

About N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 51953800) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID51953800
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n1
InChIInChI=1S/C21H29N3O3/c1-15(13-24-17(3)11-16(2)23-24)12-22-21(25)18-6-8-19(9-7-18)27-14-20-5-4-10-26-20/h6-9,11,15,20H,4-5,10,12-14H2,1-3H3,(H,22,25)/t15-,20+/m1/s1
InChIKeyDLIWNPRSQKNTGG-QRWLVFNGSA-N
XLogP3.12
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 51953886
4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 55783643
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 51953782
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 94028989
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51953821
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 86825645
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 51968449
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55603157
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 51953800) is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n1.
What is the InChIKey of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is DLIWNPRSQKNTGG-QRWLVFNGSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15(13-24-17(3)11-16(2)23-24)12-22-21(25)18-6-8-19(9-7-18)27-14-20-5-4-10-26-20/h6-9,11,15,20H,4-5,10,12-14H2,1-3H3,(H,22,25)/t15-,20+/m1/s1.
What are the key properties of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 371.48 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 51953800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).