N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide

C15H29N3O3 — CID 113053643

IUPACN-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)CCN1CCOCC1
InChIInChI=1S/C15H29N3O3/c1-13(2)12-15(20)16-4-5-18(14(3)19)7-6-17-8-10-21-11-9-17/h13H,4-12H2,1-3H3,(H,16,20)
InChIKeyHYHKHKXEADTLIO-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.33
Rot. Bonds8

About N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide

N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide (PubChem CID 113053643) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide
PubChem CID113053643
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC NameN-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)CCN1CCOCC1
InChIInChI=1S/C15H29N3O3/c1-13(2)12-15(20)16-4-5-18(14(3)19)7-6-17-8-10-21-11-9-17/h13H,4-12H2,1-3H3,(H,16,20)
InChIKeyHYHKHKXEADTLIO-UHFFFAOYSA-N
XLogP0.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113053665
N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-2-chlorobenzamide
CID 113053679
N-(2-morpholin-4-ylethyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113117649
3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadecanamide
CID 54522748
N-[2-(benzenesulfonamido)ethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 113053710
N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113150008
3-[acetyl(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113120745
N-ethyl-3-methylbutanamide;4-methylmorpholine;molecular hydrogen
CID 142406599
1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
CID 110752196
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113117743
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113117729
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113160614

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide (CID 113053643) is N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide is CC(=O)N(CCNC(=O)CC(C)C)CCN1CCOCC1.
What is the InChIKey of N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide?
The InChIKey is HYHKHKXEADTLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-13(2)12-15(20)16-4-5-18(14(3)19)7-6-17-8-10-21-11-9-17/h13H,4-12H2,1-3H3,(H,16,20).
What are the key properties of N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide?
N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide has a molecular weight of 299.41 g/mol, XLogP of 0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide is sourced from PubChem (CID 113053643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).