N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide

C13H27N3O2 — CID 60677146

IUPACN-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide
SMILESCCCCCCC(C)NC(C)C(=O)NC(=O)NC
InChIInChI=1S/C13H27N3O2/c1-5-6-7-8-9-10(2)15-11(3)12(17)16-13(18)14-4/h10-11,15H,5-9H2,1-4H3,(H2,14,16,17,18)
InChIKeyAWIYIDSRDGSUKM-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.78
Rot. Bonds8

About N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide

N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide (PubChem CID 60677146) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide
PubChem CID60677146
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide
SMILESCCCCCCC(C)NC(C)C(=O)NC(=O)NC
InChIInChI=1S/C13H27N3O2/c1-5-6-7-8-9-10(2)15-11(3)12(17)16-13(18)14-4/h10-11,15H,5-9H2,1-4H3,(H2,14,16,17,18)
InChIKeyAWIYIDSRDGSUKM-UHFFFAOYSA-N
XLogP1.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.78
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-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 60677131
2-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
2-(nonan-2-ylamino)propanoic acid
CID 61499682
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide
CID 113493476
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631933
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide
CID 60677139
1-(pentadecan-2-ylamino)ethanol
CID 90985657
2-[5-(diethylamino)pentan-2-ylamino]-N-(ethylcarbamoyl)propanamide
CID 43083671

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide (CID 60677146) is N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide is CCCCCCC(C)NC(C)C(=O)NC(=O)NC.
What is the InChIKey of N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide?
The InChIKey is AWIYIDSRDGSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-6-7-8-9-10(2)15-11(3)12(17)16-13(18)14-4/h10-11,15H,5-9H2,1-4H3,(H2,14,16,17,18).
What are the key properties of N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide?
N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide has a molecular weight of 257.38 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide is sourced from PubChem (CID 60677146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).