N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide

C17H29N5O2 — CID 129007550

IUPACN-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1CCOC(c2nncn2C)C1
InChIInChI=1S/C17H29N5O2/c1-13(17(23)18-10-14-6-4-3-5-7-14)22-8-9-24-15(11-22)16-20-19-12-21(16)2/h12-15H,3-11H2,1-2H3,(H,18,23)
InChIKeySMSGUYXGJVTNIH-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.27
Rot. Bonds5

About N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide

N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide (PubChem CID 129007550) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
PubChem CID129007550
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1CCOC(c2nncn2C)C1
InChIInChI=1S/C17H29N5O2/c1-13(17(23)18-10-14-6-4-3-5-7-14)22-8-9-24-15(11-22)16-20-19-12-21(16)2/h12-15H,3-11H2,1-2H3,(H,18,23)
InChIKeySMSGUYXGJVTNIH-UHFFFAOYSA-N
XLogP1.27
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877674
(2S)-N-[(2-methylphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129328598
(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129331001
2-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 129339664
(2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
CID 98761337
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 71928117
N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 4880388
4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129007338
N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4030737
(2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129329934
2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 71970064
(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129328081

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide (CID 129007550) is N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide is CC(C(=O)NCC1CCCCC1)N1CCOC(c2nncn2C)C1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide?
The InChIKey is SMSGUYXGJVTNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13(17(23)18-10-14-6-4-3-5-7-14)22-8-9-24-15(11-22)16-20-19-12-21(16)2/h12-15H,3-11H2,1-2H3,(H,18,23).
What are the key properties of N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide?
N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide has a molecular weight of 335.45 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide is sourced from PubChem (CID 129007550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).