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

C12H25N3O2 — CID 60677131

IUPAC2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide
SMILESCCCCCC(C)NC(C)C(=O)NC(=O)NC
InChIInChI=1S/C12H25N3O2/c1-5-6-7-8-9(2)14-10(3)11(16)15-12(17)13-4/h9-10,14H,5-8H2,1-4H3,(H2,13,15,16,17)
InChIKeyHDKLCZRIFIMUHM-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.39
Rot. Bonds7

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

2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide (PubChem CID 60677131) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide
PubChem CID60677131
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide
SMILESCCCCCC(C)NC(C)C(=O)NC(=O)NC
InChIInChI=1S/C12H25N3O2/c1-5-6-7-8-9(2)14-10(3)11(16)15-12(17)13-4/h9-10,14H,5-8H2,1-4H3,(H2,13,15,16,17)
InChIKeyHDKLCZRIFIMUHM-UHFFFAOYSA-N
XLogP1.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.39
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

N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide
CID 60677146
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
2-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide
CID 113493476
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631933
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
2-(nonan-2-ylamino)propanoic acid
CID 61499682
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide
CID 115632114
2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide
CID 60677139
2-[5-(diethylamino)pentan-2-ylamino]-N-(ethylcarbamoyl)propanamide
CID 43083671
N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide
CID 61499941

Frequently Asked Questions

What is the IUPAC name of 2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide (CID 60677131) is 2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide is CCCCCC(C)NC(C)C(=O)NC(=O)NC.
What is the InChIKey of 2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide?
The InChIKey is HDKLCZRIFIMUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-6-7-8-9(2)14-10(3)11(16)15-12(17)13-4/h9-10,14H,5-8H2,1-4H3,(H2,13,15,16,17).
What are the key properties of 2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide?
2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide has a molecular weight of 243.35 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 60677131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).