N-methyl-4-(prop-2-ynylamino)butanamide

C8H14N2O — CID 63892463

IUPACN-methyl-4-(prop-2-ynylamino)butanamide
SMILESC#CCNCCCC(=O)NC
InChIInChI=1S/C8H14N2O/c1-3-6-10-7-4-5-8(11)9-2/h1,10H,4-7H2,2H3,(H,9,11)
InChIKeyQVWIRXGJVKJTQV-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.26
Rot. Bonds5

About N-methyl-4-(prop-2-ynylamino)butanamide

N-methyl-4-(prop-2-ynylamino)butanamide (PubChem CID 63892463) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-methyl-4-(prop-2-ynylamino)butanamide.

Molecular Properties

Compound NameN-methyl-4-(prop-2-ynylamino)butanamide
PubChem CID63892463
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-methyl-4-(prop-2-ynylamino)butanamide
SMILESC#CCNCCCC(=O)NC
InChIInChI=1S/C8H14N2O/c1-3-6-10-7-4-5-8(11)9-2/h1,10H,4-7H2,2H3,(H,9,11)
InChIKeyQVWIRXGJVKJTQV-UHFFFAOYSA-N
XLogP-0.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.26
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

N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
N-methyloct-7-ynamide
CID 175792048
N-methyl-4-(sulfanylamino)butanamide
CID 59695052
4-[2-(dimethylamino)ethylamino]-N-methylbutanamide
CID 63890540
N,N'-dimethylheptanediamide
CID 15166696
N-methyl-4-(methylamino)butanamide;molecular hydrogen
CID 176574478
methanamine;N-methylpent-4-ynamide
CID 160899629
3-(prop-2-ynylamino)propanamide
CID 43090029
N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
CID 78912839
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
N-methyloct-4-en-7-ynamide
CID 175936352
N-cyclopropyl-4-[[3-(methylamino)-3-oxopropyl]amino]butanamide
CID 79394133

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(prop-2-ynylamino)butanamide?
The IUPAC name of N-methyl-4-(prop-2-ynylamino)butanamide (CID 63892463) is N-methyl-4-(prop-2-ynylamino)butanamide.
What is the SMILES notation for N-methyl-4-(prop-2-ynylamino)butanamide?
The canonical SMILES for N-methyl-4-(prop-2-ynylamino)butanamide is C#CCNCCCC(=O)NC.
What is the InChIKey of N-methyl-4-(prop-2-ynylamino)butanamide?
The InChIKey is QVWIRXGJVKJTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-6-10-7-4-5-8(11)9-2/h1,10H,4-7H2,2H3,(H,9,11).
What are the key properties of N-methyl-4-(prop-2-ynylamino)butanamide?
N-methyl-4-(prop-2-ynylamino)butanamide has a molecular weight of 154.21 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(prop-2-ynylamino)butanamide is sourced from PubChem (CID 63892463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).