N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide

C11H23N3O3 — CID 62334696

IUPACN-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
SMILESCCCCNC(=O)NC(=O)CN(C)CC(C)O
InChIInChI=1S/C11H23N3O3/c1-4-5-6-12-11(17)13-10(16)8-14(3)7-9(2)15/h9,15H,4-8H2,1-3H3,(H2,12,13,16,17)
InChIKeyLIAGWZXZOUEBPS-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.08
Rot. Bonds7

About N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide

N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide (PubChem CID 62334696) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
PubChem CID62334696
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
SMILESCCCCNC(=O)NC(=O)CN(C)CC(C)O
InChIInChI=1S/C11H23N3O3/c1-4-5-6-12-11(17)13-10(16)8-14(3)7-9(2)15/h9,15H,4-8H2,1-3H3,(H2,12,13,16,17)
InChIKeyLIAGWZXZOUEBPS-UHFFFAOYSA-N
XLogP-0.08
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide
CID 146142232
methyl N-[2-[2-hydroxypropyl(methyl)amino]acetyl]carbamate
CID 62335232
2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 55061227
N-(2-aminoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332906
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(butylcarbamoyl)acetamide
CID 26650831
N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8754959
2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide
CID 107204289
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 62015752
N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636505
N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301724
2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8594560

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide (CID 62334696) is N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide is CCCCNC(=O)NC(=O)CN(C)CC(C)O.
What is the InChIKey of N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide?
The InChIKey is LIAGWZXZOUEBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-5-6-12-11(17)13-10(16)8-14(3)7-9(2)15/h9,15H,4-8H2,1-3H3,(H2,12,13,16,17).
What are the key properties of N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide?
N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide has a molecular weight of 245.32 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[2-hydroxypropyl(methyl)amino]acetamide is sourced from PubChem (CID 62334696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).