N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide

C18H25N5O2 — CID 39651009

IUPACN-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESC[C@@H]1CN([C@@H](C)CNC(=O)c2ccc(-n3cncn3)cc2)C[C@@H](C)O1
InChIInChI=1S/C18H25N5O2/c1-13(22-9-14(2)25-15(3)10-22)8-20-18(24)16-4-6-17(7-5-16)23-12-19-11-21-23/h4-7,11-15H,8-10H2,1-3H3,(H,20,24)/t13-,14+,15+/m0/s1
InChIKeyMXNBIBVCEVHJFJ-RRFJBIMHSA-N
MW343.43 g/mol
LogP1.49
Rot. Bonds5

About N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide

N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 39651009) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID39651009
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESC[C@@H]1CN([C@@H](C)CNC(=O)c2ccc(-n3cncn3)cc2)C[C@@H](C)O1
InChIInChI=1S/C18H25N5O2/c1-13(22-9-14(2)25-15(3)10-22)8-20-18(24)16-4-6-17(7-5-16)23-12-19-11-21-23/h4-7,11-15H,8-10H2,1-3H3,(H,20,24)/t13-,14+,15+/m0/s1
InChIKeyMXNBIBVCEVHJFJ-RRFJBIMHSA-N
XLogP1.49
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide with MolForge

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795528
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732334
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide
CID 46439567
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-2-carboxamide
CID 98718393
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 51114210
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3-methylfuran-2-carboxamide
CID 47028009
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
CID 124736359
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252
N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 111460488
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51253483
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47082081

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 39651009) is N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide is C[C@@H]1CN([C@@H](C)CNC(=O)c2ccc(-n3cncn3)cc2)C[C@@H](C)O1.
What is the InChIKey of N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is MXNBIBVCEVHJFJ-RRFJBIMHSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(22-9-14(2)25-15(3)10-22)8-20-18(24)16-4-6-17(7-5-16)23-12-19-11-21-23/h4-7,11-15H,8-10H2,1-3H3,(H,20,24)/t13-,14+,15+/m0/s1.
What are the key properties of N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 343.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 39651009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).