N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane

C17H32N2O2 — CID 157327829

IUPACN,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane
SMILESC.CC(C)C#CCN1CCO[C@H](CN(C)C(=O)C(C)C)C1
InChIInChI=1S/C16H28N2O2.CH4/c1-13(2)7-6-8-18-9-10-20-15(12-18)11-17(5)16(19)14(3)4;/h13-15H,8-12H2,1-5H3;1H4/t15-;/m1./s1
InChIKeyBEYAWKYMBQHYNZ-XFULWGLBSA-N
MW296.45 g/mol
LogP2.10
Rot. Bonds4

About N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane

N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane (PubChem CID 157327829) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane.

Molecular Properties

Compound NameN,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane
PubChem CID157327829
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane
SMILESC.CC(C)C#CCN1CCO[C@H](CN(C)C(=O)C(C)C)C1
InChIInChI=1S/C16H28N2O2.CH4/c1-13(2)7-6-8-18-9-10-20-15(12-18)11-17(5)16(19)14(3)4;/h13-15H,8-12H2,1-5H3;1H4/t15-;/m1./s1
InChIKeyBEYAWKYMBQHYNZ-XFULWGLBSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N-[(4-propylmorpholin-2-yl)methyl]propanamide
CID 164906952
N,2-dimethyl-N-[(4-pentylmorpholin-2-yl)methyl]propanamide
CID 163400251
N,2-dimethyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 138727851
N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide
CID 166800725
N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane
CID 169213965
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-N-methylpropanamide
CID 155582749
N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide
CID 167243582
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
CID 156795218
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane
CID 156795217
N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide
CID 170064550

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane?
The IUPAC name of N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane (CID 157327829) is N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane.
What is the SMILES notation for N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane?
The canonical SMILES for N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane is C.CC(C)C#CCN1CCO[C@H](CN(C)C(=O)C(C)C)C1.
What is the InChIKey of N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane?
The InChIKey is BEYAWKYMBQHYNZ-XFULWGLBSA-N. The full InChI is InChI=1S/C16H28N2O2.CH4/c1-13(2)7-6-8-18-9-10-20-15(12-18)11-17(5)16(19)14(3)4;/h13-15H,8-12H2,1-5H3;1H4/t15-;/m1./s1.
What are the key properties of N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane?
N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane has a molecular weight of 296.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane is sourced from PubChem (CID 157327829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).