2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide

C15H29N3O3 — CID 107472675

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide
SMILESCC(NC(=O)C(CN)CC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C15H29N3O3/c1-11(14(20)18-5-7-21-8-6-18)17-13(19)12(10-16)9-15(2,3)4/h11-12H,5-10,16H2,1-4H3,(H,17,19)
InChIKeyZIUMPMXMLGRFJG-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.36
Rot. Bonds5

About 2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide (PubChem CID 107472675) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide
PubChem CID107472675
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide
SMILESCC(NC(=O)C(CN)CC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C15H29N3O3/c1-11(14(20)18-5-7-21-8-6-18)17-13(19)12(10-16)9-15(2,3)4/h11-12H,5-10,16H2,1-4H3,(H,17,19)
InChIKeyZIUMPMXMLGRFJG-UHFFFAOYSA-N
XLogP0.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 107471478
4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
CID 113408473
2-(aminomethyl)-4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 107471024
3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 112700894
2-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide;hydrochloride
CID 119308587
3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 113408370
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 107471820
2-(aminomethyl)-2-ethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
CID 115760333
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 107446064
2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide
CID 107769834

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide (CID 107472675) is 2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide is CC(NC(=O)C(CN)CC(C)(C)C)C(=O)N1CCOCC1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide?
The InChIKey is ZIUMPMXMLGRFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11(14(20)18-5-7-21-8-6-18)17-13(19)12(10-16)9-15(2,3)4/h11-12H,5-10,16H2,1-4H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide has a molecular weight of 299.42 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide is sourced from PubChem (CID 107472675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).