2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide

C14H27N3O4 — CID 114952829

IUPAC2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C14H27N3O4/c1-11(2)8-15-13(19)16-12(18)9-17(3)10-14(20)4-6-21-7-5-14/h11,20H,4-10H2,1-3H3,(H2,15,16,18,19)
InChIKeyAAHFIFGFJDSTQE-UHFFFAOYSA-N
MW301.39 g/mol
LogP-0.06
Rot. Bonds6

About 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide

2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 114952829) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID114952829
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN(C)CC1(O)CCOCC1
InChIInChI=1S/C14H27N3O4/c1-11(2)8-15-13(19)16-12(18)9-17(3)10-14(20)4-6-21-7-5-14/h11,20H,4-10H2,1-3H3,(H2,15,16,18,19)
InChIKeyAAHFIFGFJDSTQE-UHFFFAOYSA-N
XLogP-0.06
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]acetamide
CID 115749275
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 78964889
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 81491077
4-[[[2,2-dimethyl-3-(2-methylpropylamino)propyl]-methylamino]methyl]oxan-4-ol
CID 114953606
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 114952955
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 62015752
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(5-methylhexan-2-yl)acetamide
CID 115758566
4-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 114950925
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8588228

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide (CID 114952829) is 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CN(C)CC1(O)CCOCC1.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is AAHFIFGFJDSTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-11(2)8-15-13(19)16-12(18)9-17(3)10-14(20)4-6-21-7-5-14/h11,20H,4-10H2,1-3H3,(H2,15,16,18,19).
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 301.39 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 114952829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).