2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide

C10H21N3O3 — CID 115574241

IUPAC2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide
SMILESCCCCNC(=O)NCC(=O)NCCOC
InChIInChI=1S/C10H21N3O3/c1-3-4-5-12-10(15)13-8-9(14)11-6-7-16-2/h3-8H2,1-2H3,(H,11,14)(H2,12,13,15)
InChIKeyJCFWNCQTKSDSNJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.15
Rot. Bonds8

About 2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide

2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide (PubChem CID 115574241) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide
PubChem CID115574241
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide
SMILESCCCCNC(=O)NCC(=O)NCCOC
InChIInChI=1S/C10H21N3O3/c1-3-4-5-12-10(15)13-8-9(14)11-6-7-16-2/h3-8H2,1-2H3,(H,11,14)(H2,12,13,15)
InChIKeyJCFWNCQTKSDSNJ-UHFFFAOYSA-N
XLogP-0.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
2-(hexylamino)-N-(2-methoxyethyl)acetamide
CID 60649576
N-(2-methoxyethyl)-2-(nonylamino)acetamide
CID 115574845
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
N-(2-methoxyethyl)-2-(2-propoxyethylamino)acetamide
CID 106452448
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 60546576
2-[(2-bromoacetyl)amino]-N-butylacetamide
CID 82110073
N-[4-(2-methoxyethylcarbamoylamino)butyl]acetamide
CID 110415978
1-butyl-3-(2-ethoxyethyl)urea
CID 115583017
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611

Frequently Asked Questions

What is the IUPAC name of 2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide (CID 115574241) is 2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide is CCCCNC(=O)NCC(=O)NCCOC.
What is the InChIKey of 2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide?
The InChIKey is JCFWNCQTKSDSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-3-4-5-12-10(15)13-8-9(14)11-6-7-16-2/h3-8H2,1-2H3,(H,11,14)(H2,12,13,15).
What are the key properties of 2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide?
2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide has a molecular weight of 231.30 g/mol, XLogP of -0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115574241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).