N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide

C11H20N2O — CID 114416657

IUPACN-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide
SMILESC#CC(C)NC(C)C(=O)NC(C)CC
InChIInChI=1S/C11H20N2O/c1-6-8(3)12-10(5)11(14)13-9(4)7-2/h1,8-10,12H,7H2,2-5H3,(H,13,14)
InChIKeyZRFMRWNGXKCUAU-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.90
Rot. Bonds5

About N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide

N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide (PubChem CID 114416657) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide
PubChem CID114416657
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide
SMILESC#CC(C)NC(C)C(=O)NC(C)CC
InChIInChI=1S/C11H20N2O/c1-6-8(3)12-10(5)11(14)13-9(4)7-2/h1,8-10,12H,7H2,2-5H3,(H,13,14)
InChIKeyZRFMRWNGXKCUAU-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide
CID 81396140
N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide
CID 115899230
N-butan-2-yl-2-(6-methylheptan-2-ylamino)propanamide
CID 60719517
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
N-butan-2-yl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanamide
CID 81352053
N-butan-2-yl-2-(2-methylpropylamino)propanamide
CID 43113054
N-but-3-yn-2-yl-2-(methylamino)propanamide
CID 114417110
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-butan-2-ylpropanamide
CID 81383449
(2R)-N-[(2S)-butan-2-yl]-2-chloropropanamide
CID 14711535
2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 62109350
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]pentanamide
CID 60597163

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide?
The IUPAC name of N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide (CID 114416657) is N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide?
The canonical SMILES for N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide is C#CC(C)NC(C)C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide?
The InChIKey is ZRFMRWNGXKCUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-6-8(3)12-10(5)11(14)13-9(4)7-2/h1,8-10,12H,7H2,2-5H3,(H,13,14).
What are the key properties of N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide?
N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide has a molecular weight of 196.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(but-3-yn-2-ylamino)propanamide is sourced from PubChem (CID 114416657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).