N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine

C18H40N2O3 — CID 171540702

IUPACN,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine
SMILESCC.CCCCCOCCN1CCOCC1.CNC(=O)C(C)C
InChIInChI=1S/C11H23NO2.C5H11NO.C2H6/c1-2-3-4-8-13-9-5-12-6-10-14-11-7-12;1-4(2)5(7)6-3;1-2/h2-11H2,1H3;4H,1-3H3,(H,6,7);1-2H3
InChIKeyRWPHQKJFGIEZKH-UHFFFAOYSA-N
MW332.53 g/mol
LogP2.94
Rot. Bonds8

About N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine

N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine (PubChem CID 171540702) has the molecular formula C18H40N2O3 and a molecular weight of 332.53 g/mol. Its IUPAC name is N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine.

Molecular Properties

Compound NameN,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine
PubChem CID171540702
Molecular FormulaC18H40N2O3
Molecular Weight332.53 g/mol
Exact Mass332.30
IUPAC NameN,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine
SMILESCC.CCCCCOCCN1CCOCC1.CNC(=O)C(C)C
InChIInChI=1S/C11H23NO2.C5H11NO.C2H6/c1-2-3-4-8-13-9-5-12-6-10-14-11-7-12;1-4(2)5(7)6-3;1-2/h2-11H2,1H3;4H,1-3H3,(H,6,7);1-2H3
InChIKeyRWPHQKJFGIEZKH-UHFFFAOYSA-N
XLogP2.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethylpropanamide;4-pentylmorpholine
CID 170583919
4-(2-hexoxyethyl)morpholine
CID 3326674
ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 142616120
2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 138727702
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
4-(4-ethoxybutyl)morpholine
CID 10726253
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
4-hexylmorpholine
CID 3614751
N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
CID 156523761
N-methyl-2-(3-morpholin-4-ylpropylamino)propanamide
CID 43236781
N-methyl-3-(2-morpholin-4-ylethoxy)propan-1-amine
CID 163400432
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine?
The IUPAC name of N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine (CID 171540702) is N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine.
What is the SMILES notation for N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine?
The canonical SMILES for N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine is CC.CCCCCOCCN1CCOCC1.CNC(=O)C(C)C.
What is the InChIKey of N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine?
The InChIKey is RWPHQKJFGIEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C5H11NO.C2H6/c1-2-3-4-8-13-9-5-12-6-10-14-11-7-12;1-4(2)5(7)6-3;1-2/h2-11H2,1H3;4H,1-3H3,(H,6,7);1-2H3.
What are the key properties of N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine?
N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine has a molecular weight of 332.53 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine is sourced from PubChem (CID 171540702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).