N-(2-methylpropyl)-2-prop-2-enylbutanediamide

C11H20N2O2 — CID 57301006

IUPACN-(2-methylpropyl)-2-prop-2-enylbutanediamide
SMILESC=CCC(CC(N)=O)C(=O)NCC(C)C
InChIInChI=1S/C11H20N2O2/c1-4-5-9(6-10(12)14)11(15)13-7-8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H2,12,14)(H,13,15)
InChIKeyGAYYJYOCONQPKI-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.83
Rot. Bonds7

About N-(2-methylpropyl)-2-prop-2-enylbutanediamide

N-(2-methylpropyl)-2-prop-2-enylbutanediamide (PubChem CID 57301006) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-prop-2-enylbutanediamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-prop-2-enylbutanediamide
PubChem CID57301006
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-methylpropyl)-2-prop-2-enylbutanediamide
SMILESC=CCC(CC(N)=O)C(=O)NCC(C)C
InChIInChI=1S/C11H20N2O2/c1-4-5-9(6-10(12)14)11(15)13-7-8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H2,12,14)(H,13,15)
InChIKeyGAYYJYOCONQPKI-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methylpent-4-enamide
CID 86208811
2-(1,1-difluoroethyl)-2-fluoro-N,N'-bis(prop-2-enyl)butanediamide
CID 158328063
(3S,7S,9Z)-3-methyl-7-propan-2-yl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71758960
(7R,9Z,12S)-7-ethyl-12-propan-2-yl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759072
(7R,9Z,12R)-7-ethyl-12-propan-2-yl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759151
(3R,7S,9Z,12S)-7,12-diethyl-3-methyl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759215
(3S,7R,9Z)-3-methyl-7-propan-2-yl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759466
(7S,9Z,12S)-7-ethyl-12-propan-2-yl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759820
(3R,7S,9Z)-3-methyl-7-propan-2-yl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71760193
(7S,9Z,12R)-7-ethyl-12-propan-2-yl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71760264
(3R,7R,9Z)-3-methyl-7-propan-2-yl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71760544
(3S,7S,9Z,12S)-7,12-diethyl-3-methyl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71760704

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-prop-2-enylbutanediamide?
The IUPAC name of N-(2-methylpropyl)-2-prop-2-enylbutanediamide (CID 57301006) is N-(2-methylpropyl)-2-prop-2-enylbutanediamide.
What is the SMILES notation for N-(2-methylpropyl)-2-prop-2-enylbutanediamide?
The canonical SMILES for N-(2-methylpropyl)-2-prop-2-enylbutanediamide is C=CCC(CC(N)=O)C(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-prop-2-enylbutanediamide?
The InChIKey is GAYYJYOCONQPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-9(6-10(12)14)11(15)13-7-8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H2,12,14)(H,13,15).
What are the key properties of N-(2-methylpropyl)-2-prop-2-enylbutanediamide?
N-(2-methylpropyl)-2-prop-2-enylbutanediamide has a molecular weight of 212.29 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-prop-2-enylbutanediamide is sourced from PubChem (CID 57301006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).