2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide

C11H23N3O3 — CID 107851798

IUPAC2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCCCCCO
InChIInChI=1S/C11H23N3O3/c1-9(10(16)14-11(17)12-2)13-7-5-3-4-6-8-15/h9,13,15H,3-8H2,1-2H3,(H2,12,14,16,17)
InChIKeyLXBYLKILZXMWIQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.03
Rot. Bonds8

About 2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide

2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide (PubChem CID 107851798) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
PubChem CID107851798
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCCCCCCO
InChIInChI=1S/C11H23N3O3/c1-9(10(16)14-11(17)12-2)13-7-5-3-4-6-8-15/h9,13,15H,3-8H2,1-2H3,(H2,12,14,16,17)
InChIKeyLXBYLKILZXMWIQ-UHFFFAOYSA-N
XLogP-0.03
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
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-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43084265
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide
CID 107703590
2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43089232
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83211432
2-(2-cyclopentyloxyethylamino)-N-(methylcarbamoyl)propanamide
CID 63826610
2-(2-cyclobutylethylamino)-N-(methylcarbamoyl)propanamide
CID 115688595
N-(ethylcarbamoyl)-2-(2-hydroxyethylamino)propanamide
CID 43389341
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
2-(cyclopropylmethylamino)-N-(methylcarbamoyl)propanamide
CID 43116558
N-(methylcarbamoyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 43402025

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide (CID 107851798) is 2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NCCCCCCO.
What is the InChIKey of 2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide?
The InChIKey is LXBYLKILZXMWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-9(10(16)14-11(17)12-2)13-7-5-3-4-6-8-15/h9,13,15H,3-8H2,1-2H3,(H2,12,14,16,17).
What are the key properties of 2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide?
2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide has a molecular weight of 245.32 g/mol, XLogP of -0.03, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexylamino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 107851798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).