N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide

C10H17N3O2 — CID 103577847

IUPACN-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide
SMILESC#CC(CC)NC(C)C(=O)NC(=O)NC
InChIInChI=1S/C10H17N3O2/c1-5-8(6-2)12-7(3)9(14)13-10(15)11-4/h1,7-8,12H,6H2,2-4H3,(H2,11,13,14,15)
InChIKeyDMOKAQVJKNKVDI-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.17
Rot. Bonds4

About N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide

N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide (PubChem CID 103577847) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide
PubChem CID103577847
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide
SMILESC#CC(CC)NC(C)C(=O)NC(=O)NC
InChIInChI=1S/C10H17N3O2/c1-5-8(6-2)12-7(3)9(14)13-10(15)11-4/h1,7-8,12H,6H2,2-4H3,(H2,11,13,14,15)
InChIKeyDMOKAQVJKNKVDI-UHFFFAOYSA-N
XLogP-0.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-2-(pent-1-yn-3-ylamino)propanamide
CID 103577887
N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide
CID 103577857
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 60677131
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631933
N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide
CID 60677146
N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide
CID 61499941
N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide
CID 115632114
ethyl 2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 60811365
(2R)-2-(pent-1-yn-3-ylcarbamoylamino)propanoic acid
CID 106232347
N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide
CID 103520500
N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide
CID 113493476

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide (CID 103577847) is N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide is C#CC(CC)NC(C)C(=O)NC(=O)NC.
What is the InChIKey of N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide?
The InChIKey is DMOKAQVJKNKVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-8(6-2)12-7(3)9(14)13-10(15)11-4/h1,7-8,12H,6H2,2-4H3,(H2,11,13,14,15).
What are the key properties of N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide?
N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide has a molecular weight of 211.26 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide is sourced from PubChem (CID 103577847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).