2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide

C13H25N3O3 — CID 47318586

IUPAC2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H25N3O3/c1-19-9-5-8-14-12(17)10-15-13(18)16-11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyIJCBZFHTKPATGX-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.77
Rot. Bonds7

About 2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide

2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide (PubChem CID 47318586) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
PubChem CID47318586
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H25N3O3/c1-19-9-5-8-14-12(17)10-15-13(18)16-11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyIJCBZFHTKPATGX-UHFFFAOYSA-N
XLogP0.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.77
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-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47122602
2-(cyclopentylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 38170461
N'-cyclohexyl-N-(3-methoxypropyl)propanediamide
CID 108942501
2-(cyclopropylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47127449
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
N'-cyclopropyl-N-(3-methoxypropyl)propanediamide
CID 108940973
1-cyclododecyl-3-(2-methoxyethoxymethyl)urea
CID 108894366
2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide
CID 54957148
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide (CID 47318586) is 2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide?
The InChIKey is IJCBZFHTKPATGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-19-9-5-8-14-12(17)10-15-13(18)16-11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide?
2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 47318586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).