N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide

C12H22N2O — CID 106221318

IUPACN-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide
SMILESC#CCCCNCC(=O)NC(C)(C)CC
InChIInChI=1S/C12H22N2O/c1-5-7-8-9-13-10-11(15)14-12(3,4)6-2/h1,13H,6-10H2,2-4H3,(H,14,15)
InChIKeyKYBHSEQVQBTZAU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.29
Rot. Bonds7

About N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide

N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide (PubChem CID 106221318) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide
PubChem CID106221318
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide
SMILESC#CCCCNCC(=O)NC(C)(C)CC
InChIInChI=1S/C12H22N2O/c1-5-7-8-9-13-10-11(15)14-12(3,4)6-2/h1,13H,6-10H2,2-4H3,(H,14,15)
InChIKeyKYBHSEQVQBTZAU-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 60671300
2-(3-ethoxypropylamino)-N-(2-methylbutan-2-yl)acetamide
CID 60672261
2-(5-methoxypentylamino)-N-(2-methylbutan-2-yl)acetamide
CID 114130456
N-(1-hydroxy-2-methylpropan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79286814
2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide
CID 106211958
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 106147113
butyl 2-(pent-4-ynylamino)acetate
CID 106221090
N-ethylpent-4-yn-1-amine
CID 12615597
2-(2-but-3-enoxyethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 106401580
1-tert-butyl-3-pent-4-ynylurea
CID 103753240
2-(pent-4-ynylamino)-N-phenylacetamide
CID 106221583
tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate
CID 107095077

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide (CID 106221318) is N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide is C#CCCCNCC(=O)NC(C)(C)CC.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide?
The InChIKey is KYBHSEQVQBTZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-7-8-9-13-10-11(15)14-12(3,4)6-2/h1,13H,6-10H2,2-4H3,(H,14,15).
What are the key properties of N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide?
N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide has a molecular weight of 210.32 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(pent-4-ynylamino)acetamide is sourced from PubChem (CID 106221318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).