N-propyl-N'-prop-2-ynylbutanediamide

C10H16N2O2 — CID 163636488

IUPACN-propyl-N'-prop-2-ynylbutanediamide
SMILESC#CCNC(=O)CCC(=O)NCCC
InChIInChI=1S/C10H16N2O2/c1-3-7-11-9(13)5-6-10(14)12-8-4-2/h1H,4-8H2,2H3,(H,11,13)(H,12,14)
InChIKeyIANVYVVILICFQM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.04
Rot. Bonds6

About N-propyl-N'-prop-2-ynylbutanediamide

N-propyl-N'-prop-2-ynylbutanediamide (PubChem CID 163636488) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-propyl-N'-prop-2-ynylbutanediamide.

Molecular Properties

Compound NameN-propyl-N'-prop-2-ynylbutanediamide
PubChem CID163636488
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-propyl-N'-prop-2-ynylbutanediamide
SMILESC#CCNC(=O)CCC(=O)NCCC
InChIInChI=1S/C10H16N2O2/c1-3-7-11-9(13)5-6-10(14)12-8-4-2/h1H,4-8H2,2H3,(H,11,13)(H,12,14)
InChIKeyIANVYVVILICFQM-UHFFFAOYSA-N
XLogP0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.04
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

N-[4-(propanoylamino)butyl]propanamide
CID 2167047
N-[4-(butanoylamino)butyl]butanamide
CID 2166864
Butanamide, N-(4-amino-4-oxobutyl)-
CID 3067787
C3-Amide-C4-NH2
CID 14484861
Butyramide, N-(4-(diethylamino)-2-butynyl)-, monohydrochloride
CID 28086
4,9-Dioxo-5,10-diazatetradecane
CID 54807
Butanamide, N-butyl-2-methyl-4-((1-oxobutyl)amino)-
CID 3067788
Butanamide, N,N-dipropyl-4-((1-oxobutyl)amino)-
CID 3067792
Butanamide, 4-((1-oxobutyl)amino)-N-propyl-
CID 3067794
Butanamide, N-ethyl-4-((1-oxobutyl)amino)-
CID 3067795
Butanamide, N-hexyl-4-((1-oxobutyl)amino)-
CID 3067796
Butanamide, N-butyl-4-((2,2-dimethyl-1-oxopropyl)amino)-
CID 3067799

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-prop-2-ynylbutanediamide?
The IUPAC name of N-propyl-N'-prop-2-ynylbutanediamide (CID 163636488) is N-propyl-N'-prop-2-ynylbutanediamide.
What is the SMILES notation for N-propyl-N'-prop-2-ynylbutanediamide?
The canonical SMILES for N-propyl-N'-prop-2-ynylbutanediamide is C#CCNC(=O)CCC(=O)NCCC.
What is the InChIKey of N-propyl-N'-prop-2-ynylbutanediamide?
The InChIKey is IANVYVVILICFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-7-11-9(13)5-6-10(14)12-8-4-2/h1H,4-8H2,2H3,(H,11,13)(H,12,14).
What are the key properties of N-propyl-N'-prop-2-ynylbutanediamide?
N-propyl-N'-prop-2-ynylbutanediamide has a molecular weight of 196.25 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-prop-2-ynylbutanediamide is sourced from PubChem (CID 163636488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).