2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide

C12H23N3O3 — CID 63826610

IUPAC2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCOC1CCCC1
InChIInChI=1S/C12H23N3O3/c1-9(11(16)15-12(17)13-2)14-7-8-18-10-5-3-4-6-10/h9-10,14H,3-8H2,1-2H3,(H2,13,15,16,17)
InChIKeyCBSSXRJSRPMIPM-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.38
Rot. Bonds6

About 2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide

2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide (PubChem CID 63826610) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide
PubChem CID63826610
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCOC1CCCC1
InChIInChI=1S/C12H23N3O3/c1-9(11(16)15-12(17)13-2)14-7-8-18-10-5-3-4-6-10/h9-10,14H,3-8H2,1-2H3,(H2,13,15,16,17)
InChIKeyCBSSXRJSRPMIPM-UHFFFAOYSA-N
XLogP0.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.38
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-(2-cyclopentyloxyethylamino)-N-(3-methylbutyl)propanamide
CID 63828200
N-butyl-2-(2-cyclopentyloxyethylamino)propanamide
CID 55261648
2-(2-cyclopentyloxyethylamino)-N-(3-methoxypropyl)propanamide
CID 55259532
2-(2-cyclobutylethylamino)-N-(methylcarbamoyl)propanamide
CID 115688595
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83211432
2-(cyclopropylmethylamino)-N-(methylcarbamoyl)propanamide
CID 43116558
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446
2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
CID 107851798
2-[[(1R)-1-cycloheptylethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81392646
2-amino-N-(2-cyclopentyloxyethyl)-3-methylbutanamide
CID 63828819
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide (CID 63826610) is 2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NCCOC1CCCC1.
What is the InChIKey of 2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide?
The InChIKey is CBSSXRJSRPMIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(11(16)15-12(17)13-2)14-7-8-18-10-5-3-4-6-10/h9-10,14H,3-8H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide?
2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide has a molecular weight of 257.33 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 63826610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).